Jens Meiler
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German biochemist
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Why Is Jens Meiler Influential?
(Suggest an Edit or Addition)According to Wikipedia, Jens Meiler is a German-American biologist and structural chemist. He currently serves as a Professor of Chemistry and Associate Professor of Pharmacology and Biomedical Informatics at Vanderbilt University. His research focuses on protein structures and computational biology, drawing on interdisciplinary techniques from other sciences.
Jens Meiler's Published Works
Number of citations in a given year to any of this author's works
Total number of citations to an author for the works they published in a given year. This highlights publication of the most important work(s) by the author
Published Works
- ROSETTA3: an object-oriented software suite for the simulation and design of macromolecules. (2011) (1504)
- Computational Methods in Drug Discovery (2014) (1303)
- Recognition Dynamics Up to Microseconds Revealed from an RDC-Derived Ubiquitin Ensemble in Solution (2008) (953)
- Potently neutralizing and protective human antibodies against SARS-CoV-2 (2020) (824)
- Structure of a Class C GPCR Metabotropic Glutamate Receptor 1 Bound to an Allosteric Modulator (2014) (493)
- RosettaScripts: A Scripting Language Interface to the Rosetta Macromolecular Modeling Suite (2011) (427)
- ROSETTALIGAND: Protein–small molecule docking with full side‐chain flexibility (2006) (409)
- Practically Useful: What the Rosetta Protein Modeling Suite Can Do for You (2010) (369)
- Macromolecular modeling and design in Rosetta: recent methods and frameworks (2020) (339)
- New algorithms and an in silico benchmark for computational enzyme design (2006) (313)
- Model-free approach to the dynamic interpretation of residual dipolar couplings in globular proteins. (2001) (235)
- Opportunities and challenges in the discovery of allosteric modulators of GPCRs for treating CNS disorders (2014) (213)
- Generation and evaluation of dimension-reduced amino acid parameter representations by artificial neural networks (2001) (209)
- Coupled prediction of protein secondary and tertiary structure (2003) (207)
- Structure of KCNE1 and implications for how it modulates the KCNQ1 potassium channel. (2008) (205)
- Rosetta predictions in CASP5: Successes, failures, and prospects for complete automation (2003) (193)
- Solvent accessible surface area approximations for rapid and accurate protein structure prediction (2009) (175)
- PROSHIFT: Protein chemical shift prediction using artificial neural networks (2003) (172)
- Outcome of the First wwPDB Hybrid/Integrative Methods Task Force Workshop. (2015) (163)
- Model-free analysis of protein backbone motion from residual dipolar couplings. (2002) (162)
- Expanding the utility of NMR restraints with paramagnetic compounds: background and practical aspects. (2011) (160)
- Free modeling with Rosetta in CASP6 (2005) (153)
- Interaction of a G protein with an activated receptor opens the interdomain interface in the alpha subunit (2011) (149)
- Protocols for Molecular Modeling with Rosetta3 and RosettaScripts (2016) (147)
- The INPHARMA method: protein-mediated interligand NOEs for pharmacophore mapping. (2005) (147)
- Small-molecule ligand docking into comparative models with Rosetta (2013) (143)
- Rosetta Ligand docking with flexible XML protocols. (2012) (122)
- De novo high-resolution protein structure determination from sparse spin-labeling EPR data. (2008) (120)
- Allosteric modulation of metabotropic glutamate receptors: Structural insights and therapeutic potential (2011) (118)
- Rapid protein fold determination using unassigned NMR data (2003) (117)
- Bcl::Cluster: A method for clustering biological molecules coupled with visualization in the Pymol Molecular Graphics System (2011) (115)
- Conformation of receptor-bound visual arrestin (2012) (108)
- Structural models for the KCNQ1 voltage-gated potassium channel. (2007) (104)
- Self-consistent residual dipolar coupling based model-free analysis for the robust determination of nanosecond to microsecond protein dynamics (2008) (98)
- A Structural Study of CESA1 Catalytic Domain of Arabidopsis Cellulose Synthesis Complex: Evidence for CESA Trimers1 (2015) (97)
- CASP6 assessment of contact prediction (2005) (96)
- RosettaEPR: an integrated tool for protein structure determination from sparse EPR data. (2011) (96)
- Human Germline Antibody Gene Segments Encode Polyspecific Antibodies (2013) (94)
- EGFR Kinase Domain Duplication (EGFR-KDD) Is a Novel Oncogenic Driver in Lung Cancer That Is Clinically Responsive to Afatinib. (2015) (92)
- A new approach for applying residual dipolar couplings as restraints in structure elucidation (2000) (91)
- EGFR Fusions as Novel Therapeutic Targets in Lung Cancer. (2016) (89)
- Conformational flexibility and structural dynamics in GPCR-mediated G protein activation: a perspective. (2013) (88)
- The high-resolution solution structure of epothilone A bound to tubulin: an understanding of the structure-activity relationships for a powerful class of antitumor agents. (2003) (87)
- EM-fold: de novo atomic-detail protein structure determination from medium-resolution density maps. (2012) (86)
- Structural basis of ligand binding modes at the neuropeptide Y Y1 receptor (2018) (85)
- EM-fold: De novo folding of alpha-helical proteins guided by intermediate-resolution electron microscopy density maps. (2009) (84)
- Discovery and characterization of novel subtype-selective allosteric agonists for the investigation of M1 receptor function in the central nervous system (2010) (84)
- A Thorough Dynamic Interpretation of Residual Dipolar Couplings in Ubiquitin (2006) (84)
- Fully Flexible Docking of Medium Sized Ligand Libraries with RosettaLigand (2015) (81)
- Pharmacological evaluation of new constituents of “Spice”: synthetic cannabinoids based on indole, indazole, benzimidazole and carbazole scaffolds (2018) (79)
- Structural basis of the activity of the microtubule-stabilizing agent epothilone a studied by NMR spectroscopy in solution. (2007) (77)
- A Correspondence Between Solution-State Dynamics of an Individual Protein and the Sequence and Conformational Diversity of its Family (2009) (77)
- BCL::Conf: small molecule conformational sampling using a knowledge based rotamer library (2015) (76)
- A model for the solution structure of the rod arrestin tetramer. (2008) (75)
- Probing the Metabotropic Glutamate Receptor 5 (mGlu5) Positive Allosteric Modulator (PAM) Binding Pocket: Discovery of Point Mutations That Engender a “Molecular Switch” in PAM Pharmacology (2013) (73)
- Development of a Selective Small-Molecule Inhibitor of Kir1.1, the Renal Outer Medullary Potassium Channel (2011) (72)
- An Acquired HER2T798I Gatekeeper Mutation Induces Resistance to Neratinib in a Patient with HER2 Mutant-Driven Breast Cancer. (2017) (71)
- Web‐accessible molecular modeling with Rosetta: The Rosetta Online Server that Includes Everyone (ROSIE) (2018) (69)
- Unwinding of the C-Terminal Residues of Neuropeptide Y is critical for Y₂ Receptor Binding and Activation. (2015) (68)
- Energetic analysis of the rhodopsin–G-protein complex links the α5 helix to GDP release (2013) (66)
- Using neural networks for (13)c NMR chemical shift prediction-comparison with traditional methods. (2002) (65)
- On-target Resistance to the Mutant-Selective EGFR Inhibitor Osimertinib Can Develop in an Allele-Specific Manner Dependent on the Original EGFR-Activating Mutation (2019) (65)
- Benchmarking Ligand-Based Virtual High-Throughput Screening with the PubChem Database (2013) (63)
- Cellular manganese content is developmentally regulated in human dopaminergic neurons (2014) (63)
- Discoidin domain receptor 1 (DDR1) kinase as target for structure-based drug discovery. (2015) (61)
- High-Throughput Functional Evaluation of KCNQ1 Decrypts Variants of Unknown Significance (2018) (61)
- DipoCoup: A versatile program for 3D-structure homology comparison based on residual dipolar couplings and pseudocontact shifts (2000) (60)
- Fast Determination of 13C NMR Chemical Shifts Using Artificial Neural Networks (2000) (60)
- Sampling alternative conformational states of transporters and receptors with AlphaFold2 (2022) (60)
- The molecular basis of subtype selectivity of human kinin G-protein-coupled receptors. (2018) (59)
- Strand‐loop‐strand motifs: Prediction of hairpins and diverging turns in proteins (2003) (58)
- Simultaneous prediction of protein secondary structure and transmembrane spans (2013) (58)
- Towards Ligand Docking Including Explicit Interface Water Molecules (2013) (58)
- Structural determinants of species‐selective substrate recognition in human and Drosophila serotonin transporters revealed through computational docking studies (2009) (57)
- Tip60 is a cell-type-specific transcriptional regulator. (2001) (56)
- The tubulin-bound conformation of discodermolide derived by NMR studies in solution supports a common pharmacophore model for epothilone and discodermolide. (2006) (55)
- Characterization and Modeling of the Oligomeric State and Ligand Binding Behavior of Purified Translocator Protein 18 kDa from Rhodobacter sphaeroides (2013) (55)
- Protonation-dependent conformational dynamics of the multidrug transporter EmrE (2016) (54)
- Mechanisms of KCNQ1 channel dysfunction in long QT syndrome involving voltage sensor domain mutations (2017) (53)
- Comprehensive Analysis of Constraint on the Spatial Distribution of Missense Variants in Human Protein Structures. (2018) (52)
- Negative regulation of CD4 expression in T cells by the transcriptional repressor ZEB. (1999) (52)
- Human Rotavirus VP6-Specific Antibodies Mediate Intracellular Neutralization by Binding to a Quaternary Structure in the Transcriptional Pore (2013) (51)
- Solvent and concentration dependence of the hydroxyl chemical shift of methanol (1998) (51)
- A unified hydrophobicity scale for multispan membrane proteins (2009) (49)
- Accessing ns–μs side chain dynamics in ubiquitin with methyl RDCs (2009) (47)
- Analysis of Nidogen-1/Laminin γ1 Interaction by Cross-Linking, Mass Spectrometry, and Computational Modeling Reveals Multiple Binding Modes (2014) (46)
- BCL::Fold - De Novo Prediction of Complex and Large Protein Topologies by Assembly of Secondary Structure Elements (2012) (46)
- Protein structure prediction guided by crosslinking restraints--A systematic evaluation of the impact of the crosslinking spacer length. (2015) (45)
- Dipolar couplings in multiple alignments suggest alpha helical motion in ubiquitin. (2003) (44)
- Second-site suppressors of HIV-1 capsid mutations: restoration of intracellular activities without correction of intrinsic capsid stability defects (2012) (44)
- Iterative Molecular Dynamics—Rosetta Protein Structure Refinement Protocol to Improve Model Quality (2013) (44)
- Potential of fragment recombination for rational design of proteins. (2012) (44)
- BCL::Score—Knowledge Based Energy Potentials for Ranking Protein Models Represented by Idealized Secondary Structure Elements (2012) (43)
- Genius: a genetic algorithm for automated structure elucidation from 13C NMR spectra. (2002) (43)
- Using RosettaLigand for Small Molecule Docking into Comparative Models (2012) (43)
- Residual dipolar couplings as a tool to study molecular recognition of ubiquitin. (2008) (42)
- Measurement of aptamer-protein interactions with back-scattering interferometry. (2011) (42)
- Documentation of an Imperative To Improve Methods for Predicting Membrane Protein Stability (2016) (42)
- Identification of specific ligand-receptor interactions that govern binding and cooperativity of diverse modulators to a common metabotropic glutamate receptor 5 allosteric site. (2014) (42)
- BCL::MP-fold: folding membrane proteins through assembly of transmembrane helices. (2013) (41)
- Protein contact prediction from amino acid co-evolution using convolutional networks for graph-valued images (2016) (41)
- A Conserved Phenylalanine as a Relay between the α5 Helix and the GDP Binding Region of Heterotrimeric Gi Protein α Subunit* (2014) (41)
- Discovery of 2‐(2‐Benzoxazoyl amino)‐4‐Aryl‐5‐Cyanopyrimidine as Negative Allosteric Modulators (NAMs) of Metabotropic Glutamate Receptor 5 (mGlu5): From an Artificial Neural Network Virtual Screen to an In Vivo Tool Compound (2012) (40)
- BCL::EM-Fit: rigid body fitting of atomic structures into density maps using geometric hashing and real space refinement. (2011) (40)
- Pyruvate formate-lyase interacts directly with the formate channel FocA to regulate formate translocation. (2014) (40)
- Identification of Metabotropic Glutamate Receptor Subtype 5 Potentiators Using Virtual High-Throughput Screening (2010) (40)
- Hybrid approaches: applying computational methods in cryo-electron microscopy. (2009) (40)
- Structural basis for KCNE3 modulation of potassium recycling in epithelia (2016) (40)
- Inverted Topologies in Membrane Proteins: A Mini-Review (2013) (39)
- RosettaEPR: Rotamer Library for Spin Label Structure and Dynamics (2013) (39)
- Algorithm for selection of optimized EPR distance restraints for de novo protein structure determination. (2011) (39)
- Automated Structure Elucidation of Organic Molecules from 13C NMR Spectra Using Genetic Algorithms and Neural Networks (2001) (38)
- NMR Structure Determination of Saccharose and Raffinose by Means of Homo- and Heteronuclear Dipolar Couplings (2001) (38)
- A Conserved Asparagine Residue in Transmembrane Segment 1 (TM1) of Serotonin Transporter Dictates Chloride-coupled Neurotransmitter Transport* (2011) (37)
- Exploring symmetry as an avenue to the computational design of large protein domains. (2011) (37)
- Structural Model of Ghrelin Bound to its G Protein-Coupled Receptor. (2019) (37)
- Assessment and Challenges of Ligand Docking into Comparative Models of G-Protein Coupled Receptors (2013) (37)
- Discoidin domain receptor 1 kinase activity is required for regulating collagen IV synthesis. (2017) (37)
- Reconstruction of SAXS Profiles from Protein Structures (2013) (37)
- Side-chain orientation and hydrogen-bonding imprint supra-Tau(c) motion on the protein backbone of ubiquitin. (2005) (36)
- Identification of Determinants Required for Agonistic and Inverse Agonistic Ligand Properties at the ADP Receptor P2Y12 (2013) (36)
- A Structural Model of the Complex Formed by Phospholamban and the Calcium Pump of Sarcoplasmic Reticulum Obtained by Molecular Mechanics (2002) (35)
- The Marburgvirus-Neutralizing Human Monoclonal Antibody MR191 Targets a Conserved Site to Block Virus Receptor Binding. (2018) (35)
- Structural basis for nonneutralizing antibody competition at antigenic site II of the respiratory syncytial virus fusion protein (2016) (34)
- Predicting susceptibility to SARS‐CoV‐2 infection based on structural differences in ACE2 across species (2020) (34)
- Computational modeling of laminin N‐terminal domains using sparse distance constraints from disulfide bonds and chemical cross‐linking (2010) (33)
- Origin and prediction of free-solution interaction studies performed label-free (2016) (32)
- Predicting the Functional Impact of KCNQ1 Variants of Unknown Significance (2017) (32)
- BCL::MP‐fold: Membrane protein structure prediction guided by EPR restraints (2015) (31)
- Design of Protein Multi-specificity Using an Independent Sequence Search Reduces the Barrier to Low Energy Sequences (2015) (31)
- Discovery and characterization of novel subtype-selective allosteric agonists for the investigation of M(1) receptor function in the central nervous system. (2010) (31)
- Discovery, Characterization, and Effects on Renal Fluid and Electrolyte Excretion of the Kir4.1 Potassium Channel Pore Blocker, VU0134992 (2018) (31)
- A Structural Study of CESA 1 Catalytic Domain of Arabidopsis Cellulose Synthesis Complex : Evidence for CESA Trimers 1 (2015) (30)
- Improving quantitative structure–activity relationship models using Artificial Neural Networks trained with dropout (2016) (30)
- The Kir channel immunoglobulin domain is essential for Kir1.1 (ROMK) thermodynamic stability, trafficking and gating (2009) (30)
- Finding the needle in the haystack: towards solving the protein-folding problem computationally (2018) (29)
- Exploration of allosteric agonism structure-activity relationships within an acetylene series of metabotropic glutamate receptor 5 (mGlu5) positive allosteric modulators (PAMs): discovery of 5-((3-fluorophenyl)ethynyl)-N-(3-methyloxetan-3-yl)picolinamide (ML254). (2013) (29)
- Human antibodies that neutralize respiratory droplet transmissible H5N1 influenza viruses. (2013) (29)
- Prostaglandin E2 glyceryl ester is an endogenous agonist of the nucleotide receptor P2Y6 (2017) (29)
- Structural, functional, and behavioral insights of dopamine dysfunction revealed by a deletion in SLC6A3 (2019) (29)
- Federating Structural Models and Data: Outcomes from A Workshop on Archiving Integrative Structures. (2019) (27)
- Redesigned HIV antibodies exhibit enhanced neutralizing potency and breadth. (2015) (27)
- Validation of Structural Proposals by Substructure Analysis and 13C NMR Chemical Shift Prediction (2002) (26)
- Computational design of protein-small molecule interfaces. (2014) (26)
- Mono(2-ethylhexyl) phthalate (MEHP) and mono(2-ethyl-5-oxohexyl) phthalate (MEOHP) but not di(2-ethylhexyl) phthalate (DEHP) bind productively to the peroxisome proliferator-activated receptor γ. (2018) (26)
- Ab initio protein modeling into CryoEM density maps using EM-Fold. (2012) (25)
- Upgraded molecular models of the human KCNQ1 potassium channel (2019) (25)
- Improving homology modeling from low-sequence identity templates in Rosetta: A case study in GPCRs (2020) (25)
- Bound to be different: neurotransmitter transporters meet their bacterial cousins. (2007) (25)
- Pancreatic Polypeptide Is Recognized by Two Hydrophobic Domains of the Human Y4 Receptor Binding Pocket* (2013) (25)
- Structure and physiological function of the human KCNQ1 channel voltage sensor intermediate state (2020) (25)
- A physical model for PDZ-domain/peptide interactions (2010) (24)
- BCL::Fold—Protein topology determination from limited NMR restraints (2014) (24)
- Personalized Biochemistry and Biophysics (2015) (24)
- Molecular architecture of the human caveolin-1 complex (2022) (24)
- Octarellin VI: Using Rosetta to Design a Putative Artificial (β/α)8 Protein (2013) (24)
- The fumarate sensor DcuS: progress in rapid protein fold elucidation by combining protein structure prediction methods with NMR spectroscopy. (2005) (23)
- Structure–function analysis of oncogenic EGFR Kinase Domain Duplication reveals insights into activation and a potential approach for therapeutic targeting (2021) (23)
- Design and directed evolution of a dideoxy purine nucleoside phosphorylase. (2010) (23)
- Integrative protein modeling in RosettaNMR from sparse paramagnetic restraints (2019) (22)
- Epothilones: Quantitative Structure Activity Relations Studied by Support Vector Machines and Artificial Neural Networks (2003) (22)
- Co-occurring gain-of-function mutations in HER2 and HER3 modulate HER2/HER3 activation, oncogenesis, and HER2 inhibitor sensitivity. (2021) (22)
- Autocorrelation descriptor improvements for QSAR: 2DA_Sign and 3DA_Sign (2016) (22)
- A Derived Allosteric Switch Underlies the Evolution of Conditional Cooperativity between HOXA11 and FOXO1. (2016) (22)
- Rosetta and the Design of Ligand Binding Sites. (2016) (21)
- Novel methods of automated structure elucidation based on 13C NMR spectroscopy (2004) (21)
- Position and Length of Fatty Acids Strongly Affect Receptor Selectivity Pattern of Human Pancreatic Polypeptide Analogues (2014) (20)
- Computational design of protein-ligand interfaces: potential in therapeutic development. (2011) (20)
- Antibodies: Computer-Aided Prediction of Structure and Design of Function. (2014) (20)
- Computational and functional analyses of a small-molecule binding site in ROMK. (2015) (20)
- MHC-II alleles shape the CDR3 repertoires of conventional and regulatory naïve CD4+ T cells (2020) (20)
- Structure and Function of the Transmembrane Domain of NsaS, an Antibiotic Sensing Histidine Kinase in Staphylococcus aureus. (2018) (19)
- PIK3CA C2 Domain Deletions Hyperactivate Phosphoinositide 3-kinase (PI3K), Generate Oncogene Dependence, and Are Exquisitely Sensitive to PI3Kα Inhibitors (2017) (19)
- A Conserved Hydrophobic Core in Gαi1 Regulates G Protein Activation and Release from Activated Receptor * (2016) (19)
- Structures Illuminate Cardiac Ion Channel Functions in Health and in Long QT Syndrome (2020) (19)
- Selective mode of action of guanidine-containing non-peptides at human NPFF receptors. (2012) (19)
- Identification of a ubiquitin-binding interface using Rosetta and DEER (2018) (19)
- Application of machine learning approaches on quantitative structure activity relationships (2009) (18)
- Improving Loop Modeling of the Antibody Complementarity-Determining Region 3 Using Knowledge-Based Restraints (2016) (18)
- BCL::Align-sequence alignment and fold recognition with a custom scoring function online. (2008) (18)
- Long antibody HCDR3s from HIV-naïve donors presented on a PG9 neutralizing antibody background mediate HIV neutralization (2016) (18)
- The unexpected structure of the designed protein Octarellin V.1 forms a challenge for protein structure prediction tools. (2016) (17)
- Multistate design of influenza antibodies improves affinity and breadth against seasonal viruses (2019) (17)
- Better together: Elements of successful scientific software development in a distributed collaborative community (2020) (17)
- Determination of aliphatic side-chain conformation using cross-correlated relaxation: application to an extraordinarily stable 2'-aminoethoxy-modified oligonucleotide triplex. (2001) (17)
- The Homology Model of PMP22 Suggests Mutations Resulting in Peripheral Neuropathy Disrupt Transmembrane Helix Packing (2014) (17)
- Contribution of Cotranslational Folding Defects to Membrane Protein Homeostasis. (2018) (17)
- Hydroxamic Acids Immobilized on Resins (HAIRs): Synthesis of Dual‐Targeting HDAC Inhibitors and HDAC Degraders (PROTACs) (2020) (17)
- Neural Network Prediction of 13C NMR Chemical Shifts of Substituted Benzenes (1999) (17)
- ML418: The First Selective, Sub-Micromolar Pore Blocker of Kir7.1 Potassium Channels. (2016) (17)
- α2A- and α2C-Adrenoceptors as Potential Targets for Dopamine and Dopamine Receptor Ligands (2018) (17)
- Computational design of an endo-1,4-beta-xylanase ligand binding site. (2011) (17)
- Improved in Vitro Folding of the Y2 G Protein-Coupled Receptor into Bicelles (2018) (17)
- RosettaLigandEnsemble: A Small-Molecule Ensemble-Driven Docking Approach (2018) (17)
- Development of Erasin: a chromone-based STAT3 inhibitor which induces apoptosis in Erlotinib-resistant lung cancer cells (2017) (16)
- Protein structure aids predicting functional perturbation of missense variants in SCN5A and KCNQ1 (2019) (16)
- Evaluation of TSPO PET Ligands [18F]VUIIS1009A and [18F]VUIIS1009B: Tracers for Cancer Imaging (2017) (16)
- Characterization of the Domain Orientations of E. coli 5'-Nucleotidase by Fitting an Ensemble of Conformers to DEER Distance Distributions. (2016) (16)
- Probing biophysical sequence constraints within the transmembrane domains of rhodopsin by deep mutational scanning (2020) (16)
- ROSETTAEPR: An Integrated Tool for Protein Structure Determination From Sparse EPR Data (2011) (16)
- Integrating Solid-State NMR and Computational Modeling to Investigate the Structure and Dynamics of Membrane-Associated Ghrelin (2015) (15)
- BCL::SAXS: GPU accelerated Debye method for computation of small angle X‐ray scattering profiles (2015) (15)
- Using the natural evolution of a rotavirus-specific human monoclonal antibody to predict the complex topography of a viral antigenic site (2007) (15)
- General Purpose Structure-Based Drug Discovery Neural Network Score Functions with Human-Interpretable Pharmacophore Maps (2021) (15)
- Rearrangement of the Extracellular Domain/Extracellular Loop 1 Interface Is Critical for Thyrotropin Receptor Activation* (2016) (14)
- Multi-state design of flexible proteins predicts sequences optimal for conformational change (2019) (14)
- Computational design of membrane proteins using RosettaMembrane (2018) (14)
- Which animals are at risk? Predicting species susceptibility to Covid-19 (2020) (14)
- Identification of a novel leptin receptor (LEPR) variant and proof of functional relevance directing treatment decisions in patients with morbid obesity. (2020) (14)
- PyIR: a scalable wrapper for processing billions of immunoglobulin and T cell receptor sequences using IgBLAST (2020) (14)
- Clinical, neuroimaging, and molecular spectrum of TECPR2‐associated hereditary sensory and autonomic neuropathy with intellectual disability (2020) (14)
- Ligand-based virtual screen for the discovery of novel M5 inhibitor chemotypes. (2016) (13)
- Tracing the evolution of the heterotrimeric G protein α subunit in Metazoa (2018) (13)
- Rapid Simulation of Unprocessed DEER Decay Data for Protein Fold Prediction. (2019) (13)
- Iterative experimental and virtual high-throughput screening identifies metabotropic glutamate receptor subtype 4 positive allosteric modulators (2012) (12)
- Prediction of HIV‐1 Protease/Inhibitor Affinity using RosettaLigand (2012) (12)
- Pushing the size limit of de novo structure ensemble prediction guided by sparse SDSL-EPR restraints to 200 residues: The monomeric and homodimeric forms of BAX. (2016) (12)
- Consensus queries in ligand-based virtual screening experiments (2017) (12)
- Therapeutic alphavirus cross-reactive E1 human antibodies inhibit viral egress (2021) (12)
- Pore Polarity and Charge Determine Differential Block of Kir1.1 and Kir7.1 Potassium Channels by Small-Molecule Inhibitor VU590 (2017) (12)
- Assessing multiple score functions in Rosetta for drug discovery (2020) (12)
- Predictive Power of Different Types of Experimental Restraints in Small Molecule Docking: A Review (2017) (12)
- Computationally Designed Cyclic Peptides Derived from an Antibody Loop Increase Breadth of Binding for Influenza Variants. (2020) (11)
- Design of native-like proteins through an exposure-dependent environment potential. (2011) (11)
- CASP11 – An Evaluation of a Modular BCL::Fold-Based Protein Structure Prediction Pipeline (2016) (11)
- Human VH1-69 Gene-Encoded Human Monoclonal Antibodies against Staphylococcus aureus IsdB Use at Least Three Distinct Modes of Binding To Inhibit Bacterial Growth and Pathogenesis (2019) (11)
- An Allosteric Mechanism for Drug Block of the Human Cardiac Potassium Channel KCNQ1 (2013) (11)
- Modeling Immunity with Rosetta: Methods for Antibody and Antigen Design (2021) (10)
- Structure and mechanism of the phage T4 recombination mediator protein UvsY (2016) (10)
- A unified structural model of the mammalian translocator protein (TSPO) (2019) (10)
- High-Throughput Screening Assay Datasets from the PubChem Database (2017) (10)
- Integrated Structural Modeling of Full-Length LRH-1 Reveals Inter-domain Interactions Contribute to Receptor Structure and Function. (2020) (10)
- Discovery of Small-Molecule Modulators of the Human Y4 Receptor (2016) (10)
- BCL: : Conf: Improved Open-Source Knowledge-Based Conformation Sampling Using the Crystallography Open Database (2020) (10)
- Dispersive relaxation and spectral diffusion in a doped alcohol glass: the influence of sample aging (1987) (10)
- Identifying digenic disease genes using machine learning in the undiagnosed diseases network (2020) (10)
- Membrane protein structure determination using paramagnetic tags. (2011) (9)
- Y95 and E444 interaction required for high-affinity S-citalopram binding in the human serotonin transporter. (2011) (9)
- The evolutionarily conserved residue A653 plays a key role in HERG channel closing (2009) (9)
- Allosteric mechanism for KCNE1 modulation of KCNQ1 potassium channel activation (2020) (9)
- The activity of prolactin releasing peptide correlates with its helicity. (2013) (9)
- Psychomotor impairments and therapeutic implications revealed by a mutation associated with infantile Parkinsonism-Dystonia (2021) (9)
- Ligand-mimicking Receptor Variant Discloses Binding and Activation Mode of Prolactin-releasing Peptide* (2012) (9)
- Quantitative Structure–Activity Relationship Modeling of Kinase Selectivity Profiles (2017) (9)
- Unique gating properties of C. elegans ClC anion channel splice variants are determined by altered CBS domain conformation and the R-helix linker (2010) (9)
- 3D Deep Learning for Biological Function Prediction from Physical Fields (2017) (9)
- Supprimierbarkeit autonomen Schilddrüsengewebes unter endogener und zusätzlicher exogener TSH-Suppression bei Patienten mit Schilddrüsenautonomie (1998) (9)
- Small Molecule Rotamers Enable Simultaneous Optimization of Small Molecule and Protein Degrees of Freedom in ROSETTALIGAND Docking (2008) (9)
- in Solution Revealed from an RDC-Derived Ubiquitin Ensemble Recognition Dynamics Up to Microseconds (2008) (9)
- BCL: : Contact-Low Confidence Fold Recognition Hits Boost Protein Contact Prediction and De Novo Structure Determination (2010) (9)
- BCL: : MolAlign: Three-Dimensional Small Molecule Alignment for Pharmacophore Mapping (2019) (9)
- High Throughput Functional Evaluation of KCNQ1 Decrypts Variants of Unknown Significance (2017) (8)
- Three-dimensional spatial analysis of missense variants in RTEL1 identifies pathogenic variants in patients with Familial Interstitial Pneumonia (2018) (8)
- A Conserved Phenylalanine as a Relay between the alpha 5 Helix and the GDP Binding Region of Heterotrimeric Gi Protein alpha Subunit. (2014) (8)
- Improving prediction of helix–helix packing in membrane proteins using predicted contact numbers as restraints (2017) (8)
- Characterization of the ExoU activation mechanism using EPR and integrative modeling (2020) (8)
- The STAT5b Linker Domain Mediates the Selectivity of Catechol Bisphosphates for STAT5b over STAT5a. (2019) (8)
- Identification and Characterization of the First Selective Y4 Receptor Positive Allosteric Modulator. (2017) (8)
- Energetic analysis of the R*-G complex links the α5 helix to GDP release and domain opening (2013) (8)
- Identification of Structurally Related Antibodies in Antibody Sequence Databases Using Rosetta-Derived Position-Specific Scoring. (2020) (8)
- Automated Structure Elucidation of Organic Molecules from 13C NMR Spectra Using Genetic Algorithms and Neural Networks. (2002) (8)
- Comparative analysis of machine learning techniques for the prediction of logP (2011) (8)
- A newly discovered TSHR variant (L665F) associated with nonautoimmune hyperthyroidism in an Austrian family induces constitutive TSHR activation by steric repulsion between TM1 and TM7. (2014) (7)
- Accurate Prediction of Contact Numbers for Multi-Spanning Helical Membrane Proteins (2016) (7)
- Rosetta design with co-evolutionary information retains protein function (2021) (7)
- Angular Restraints from Residual Dipolar Couplings for Structure Refinement (2002) (7)
- Sampling the conformational landscapes of transporters and receptors with AlphaFold2 (2021) (7)
- Modeling the complete chemokine-receptor interaction. (2019) (7)
- An arginine residue in the outer segment of hASIC1a TM1 affects both proton affinity and channel desensitization (2021) (7)
- Interfaces Between Alpha-helical Integral Membrane Proteins: Characterization, Prediction, and Docking (2019) (7)
- Integrated Structural Biology for α-Helical Membrane Protein Structure Determination. (2018) (7)
- Genetic Analysis of the Localization of APOBEC3F to Human Immunodeficiency Virus Type 1 Virion Cores (2014) (7)
- Ligand-binding and -scavenging of the chemerin receptor GPR1 (2021) (7)
- Heterogeneity of the GFP fitness landscape and data-driven protein design (2021) (7)
- Delineating the Molecular Basis of the Calmodulin–bMunc13-2 Interaction by Cross-Linking/Mass Spectrometry—Evidence for a Novel CaM Binding Motif in bMunc13-2 (2020) (6)
- Integrating linear optimization with structural modeling to increase HIV neutralization breadth (2018) (6)
- Introduction to the BioChemical Library (BCL): An Application-Based Open-Source Toolkit for Integrated Cheminformatics and Machine Learning in Computer-Aided Drug Discovery (2022) (6)
- CASP10–BCL::Fold efficiently samples topologies of large proteins (2015) (6)
- BCL::Mol2D—a robust atom environment descriptor for QSAR modeling and lead optimization (2019) (6)
- Methodology for rigorous modeling of protein conformational changes by Rosetta using DEER distance restraints (2021) (6)
- Structure-Based Rational Design of Two Enhanced Bacterial Lipocalin Blc Tags for Protein-PAINT Superresolution Microscopy. (2020) (6)
- Fast Determination of 13 C NMR Chemical Shifts Using Artificial Neural Networks (2000) (6)
- Human-likeness of antibody biologics determined by back-translation and comparison with large antibody variable gene repertoires (2020) (6)
- Structure and Dynamics of Type III Secretion Effector Protein ExoU As determined by SDSL-EPR Spectroscopy in Conjunction with De Novo Protein Folding (2017) (6)
- 3D-QSAR CoMFA study of benzoxazepine derivatives as mGluR5 positive allosteric modulators. (2010) (6)
- The Allosteric Activation of α7 nAChR by α-Conotoxin MrIC Is Modified by Mutations at the Vestibular Site (2021) (6)
- Discovery of Marburg virus neutralizing antibodies from virus-naïve human antibody repertoires using large-scale structural predictions (2020) (6)
- GPU-accelerated machine learning techniques enable QSAR modeling of large HTS data (2012) (6)
- IgG4‐related disease: Association with a rare gene variant expressed in cytotoxic T cells (2019) (6)
- Cyclic Analogues of the Chemerin C-Terminus Mimic a Loop Conformation Essential for Activating the Chemokine-like Receptor 1. (2021) (6)
- The Impact of Natural Selection on the Evolution and Function of Placentally Expressed Galectins (2018) (6)
- Protein structure prediction using sparse NOE and RDC restraints with Rosetta in CASP13 (2019) (6)
- Role of Non-local Interactions between CDR Loops in Binding Affinity of MR78 Antibody to Marburg Virus Glycoprotein. (2017) (6)
- Structural Determinants of Cholesterol Recognition in Helical Integral Membrane Proteins. (2021) (5)
- An Investigation of Three-Finger Toxin—nAChR Interactions through Rosetta Protein Docking (2020) (5)
- Role of antibody heavy and light chain interface residues in affinity maturation of binding to HIV envelope glycoprotein (2019) (5)
- Familial Autonomic Ganglionopathy Caused by Rare CHRNA3 Genetic Variants (2021) (5)
- Integrated AlphaFold2 and DEER investigation of the conformational dynamics of a pH-dependent APC antiporter (2022) (5)
- Membrane protein contact and structure prediction using co-evolution in conjunction with machine learning (2017) (5)
- In silico analysis and experimental verification of OSR1 kinase - Peptide interaction. (2014) (5)
- Identification of Novel Allosteric Modulators of Metabotropic Glutamate Receptor Subtype 5 Acting at Site Distinct from 2-Methyl-6-(phenylethynyl)-pyridine Binding (2019) (5)
- DiB-splits: nature-guided design of a novel fluorescent labeling split system (2020) (5)
- Correction: An Acquired HER2 T798I Gatekeeper Mutation Induces Resistance to Neratinib in a Patient with HER2 Mutant-Driven Breast Cancer. (2019) (5)
- Macromolecular modeling and design in Rosetta: recent methods and frameworks (2020) (5)
- Ensuring scientific reproducibility in bio-macromolecular modeling via extensive, automated benchmarks (2021) (5)
- Comprehensive Analysis of Constraint on the Spatial Distribution of Missense Variants in Human Protein Structures (2017) (5)
- Projection angle restraints for studying structure and dynamics of biomolecules. (2004) (5)
- Perspective on computational and structural aspects of kinase discovery from IPK2014. (2015) (4)
- A Deep Hydrophobic Binding Cavity is the Main Interaction for Different Y2R Antagonists (2017) (4)
- Systematic profiling of temperature- and retinal-sensitive rhodopsin variants by deep mutational scanning (2021) (4)
- Conformational Shift of a β-Hairpin Peptide upon Complex Formation with an Oligo-proline Peptide Studied by Mass Spectrometry. (2016) (4)
- Benchmarking AlphaFold2 on peptide structure prediction. (2022) (4)
- BCL::EMAS — Enantioselective Molecular Asymmetry Descriptor for 3D-QSAR (2012) (4)
- Immune repertoire fingerprinting by principal component analysis reveals shared features in subject groups with common exposures (2019) (4)
- Insight on mutation-induced resistance to anaplastic lymphoma kinase inhibitor ceritinib from molecular dynamics simulations. (2019) (4)
- X-Ray Photoemission Investigation of Excimer Laser Induced Etching of InP (1989) (4)
- Phenotypic Profiling in Subjects Heterozygous for 1 of 2 Rare Variants in the Hypophosphatasia Gene (ALPL) (2020) (4)
- Modeling of protein conformational changes with Rosetta guided by limited experimental data (2022) (4)
- A Multitask Deep-Learning Method for Predicting Membrane Associations and Secondary Structures of Proteins. (2021) (4)
- Bcl∷ChemInfo - Qualitative analysis of machine learning models for activation of HSD involved in Alzheimer's Disease (2012) (3)
- Structural perspective on ancient neuropeptide Y -like system reveals hallmark features for peptide recognition and receptor activation. (2021) (3)
- Specificity and affinity of the N-terminal residues in staphylocoagulase in binding to prothrombin (2020) (3)
- Simultaneous prediction of binding free energy and specificity for PDZ domain–peptide interactions (2013) (3)
- Comparative Analysis of Machine Learning Techniques for the Prediction of the DMPK Parameters Intrinsic Clearance and Plasma Protein Binding (2012) (3)
- Comparative modeling and docking of chemokine-receptor interactions with Rosetta. (2020) (3)
- Poster: GPU-accelerated artificial neural network for QSAR modeling (2011) (3)
- The Structural Basis of Peptide Binding at Class A G Protein-Coupled Receptors (2021) (3)
- Allele-specific activation, enzyme kinetics, and inhibitor sensitivities of EGFR exon 19 deletion mutations in lung cancer (2022) (3)
- Computational Structure Prediction for Antibody-Antigen Complexes From Hydrogen-Deuterium Exchange Mass Spectrometry: Challenges and Outlook (2022) (3)
- A CONSERVED ASPARAGINE RESIDUE IN TM 1 OF THE SEROTONIN TRANSPORTER DICTATES CHLORIDE-COUPLED NEUROTRANSMITTER TRANSPORT (2011) (3)
- Structural Determinants of Cholesterol Recognition in Helical Integral Membrane Proteins (2020) (3)
- Structural Comparative Modeling of Multi-Domain F508del CFTR (2022) (3)
- Interpretable Chirality-Aware Graph Neural Network for Quantitative Structure Activity Relationship Modeling in Drug Discovery (2022) (3)
- Klinische Implikationen eines neuen TSH-Rezeptor-Antikörper-Assoys (DYNOtest® TRAKhuman) bei autoimmunen Schilddrüsenerkrankungen (2000) (3)
- RosettaCM for antibodies with very long HCDR3s and low template availability (2021) (2)
- Predicting the functional impact of KCNQ1 variants with artificial neural networks (2021) (2)
- Prediction of amphipathic helix—membrane interactions with Rosetta (2020) (2)
- RosettaGPCR: Multiple Template Homology Modeling of GPCRs with Rosetta (2019) (2)
- Hydrophobic contacts specifically contribute to peptide binding at the neuropeptide Y2 receptor (2016) (2)
- Titelbild: The High‐Resolution Solution Structure of Epothilone A Bound to Tubulin: An Understanding of the Structure–Activity Relationships for a Powerful Class of Antitumor Agents (Angew. Chem. 22/2003) (2003) (2)
- Lipocalin Blc is a potential heme-binding protein (2020) (2)
- Poster: GPU-accelerated rigid body fitting of atomic structures into electron density maps (2011) (2)
- The Collagen Receptor Discoidin Domain Receptor 1b Enhances Integrin β1-Mediated Cell Migration by Interacting With Talin and Promoting Rac1 Activation (2022) (2)
- Deep Learning for Virtual Screening: Five Reasons to Use ROC Cost Functions (2020) (2)
- Efficient Sampling of Protein Loop Regions Using Conformational Hashing Complemented with Random Coordinate Descent. (2020) (2)
- A Computational Analysis of the Factors Governing the Dynamics of α7 nAChR and Its Homologs. (2020) (2)
- Huixian Wu Bound to an Allosteric Modulator Structure of a Class C GPCR Metabotropic Glutamate Receptor (2014) (2)
- Epitope-focused immunogen design based on the ebolavirus glycoprotein HR2-MPER region (2022) (2)
- Evolution of Conditional Cooperativity Between HOXA11 and FOXO1 Through Allosteric Regulation (2015) (2)
- Design principles of caveolins across metazoa and beyond (2022) (2)
- Co-Occurring Gain-of-Function Mutations in HER2 and HER3 Modulate HER2/HER3 Activation, Breast Cancer Progression, and HER2 Inhibitor Sensitivity (2020) (2)
- Improved prediction of trans-membrane spans in proteins using an artificial neural network (2009) (2)
- Critical Residues of Gβγ for the interaction with the SNARE Complex (2020) (2)
- Veratridine Can Bind to a Site at the Mouth of the Channel Pore at Human Cardiac Sodium Channel NaV1.5 (2022) (2)
- Template-free prediction of a new monotopic membrane protein fold and oligomeric assembly by AlphaFold2. (2023) (2)
- Computational determination of the orientation of a heat repeat-like domain of DNA-PKcs (2013) (2)
- Abstract PD3-05: Co-occurring gain-of-function mutations in HER2 and HER3 cooperate to enhance HER2/HER3 binding, HER-dependent signaling, and breast cancer growth (2019) (2)
- Guanylate Cyclase-Activating Protein-2 Undergoes Structural Changes upon Binding to Detergent Micelles and Bicelles. (2014) (2)
- Molecular basis for variations in the sensitivity of pathogenic rhodopsin variants to 9-cis-retinal (2022) (2)
- Template-free prediction of a new monotopic membrane protein fold and assembly by Alphafold2. (2022) (2)
- Biasing AlphaFold2 to predict GPCRs and kinases with user-defined functional or structural properties (2022) (2)
- Personalized structural biology reveals the molecular mechanisms underlying heterogeneous epileptic phenotypes caused by de novo KCNC2 variants (2022) (2)
- Carbon and amide detect backbone assignment methods of a novel repeat protein from the staphylocoagulase in S. aureus (2017) (2)
- Abstract P3-03-03: An acquired HER2 T798I gatekeeper mutation induces resistance to neratinib in a patient with HER2 mutant-driven breast cancer (2017) (2)
- Balancing Histone Deacetylase (HDAC) Inhibition and Drug‐likeness: Biological and Physicochemical Evaluation of Class I Selective HDAC Inhibitors (2022) (2)
- Disease-linked supertrafficking of a potassium channel (2021) (2)
- Targeting in silico GPCR conformations with ultra-large library screening for hit discovery. (2023) (2)
- MEHP and MEOHP but not DEHP bind productively to the peroxisome proliferator-activated receptor γ (2019) (2)
- Holistic Approach to Partial Covalent Interactions in Protein Structure Prediction and Design with Rosetta (2018) (2)
- Mapping the Binding Sites of UDP and Prostaglandin E2 Glyceryl Ester in the Nucleotide Receptor P2Y6 (2022) (2)
- Highly Selective Y4 Receptor Antagonist Binds in an Allosteric Binding Pocket. (2021) (2)
- Intramolecular Dimerization of EGFR Kinase Domain Duplication as a Novel Activation Mechanism (2017) (1)
- Rosettaepr: Developing Protein Structure Prediction Methods using Sparse SDSL-EPR Data (2010) (1)
- Benchmarking Peptide Structure Prediction with AlphaFold2 (2022) (1)
- Rosetta FlexPepDock to predict peptide-MHC binding: An approach for non-canonical amino acids (2022) (1)
- Dual pancreatic adrenergic and dopaminergic signaling as a therapeutic target of bromocriptine (2022) (1)
- A survey of conformational and energetic changes in G protein signaling (2015) (1)
- Structural analysis of the P132L disease mutation in caveolin-1 reveals its role in assembly of oligomeric complexes. (2023) (1)
- Crystal structure of a MR78-like antibody naive-1 Fab (2020) (1)
- Binding of Natural Peptide Ligands to the Neuropeptide Y5 Receptor (2021) (1)
- Mapping of the fibrinogen-binding site on the staphylocoagulase C-terminal repeat region (2021) (1)
- Integrated Structural Biology for Alpha-Helical Membrane Protein Structure Determination (2019) (1)
- Molecular basis for the evolved instability of a human G-protein coupled receptor (2019) (1)
- PIK 3 CA C 2 domain deletions hyperactivate phosphoinositide 3-kinase ( PI 3 K ) , generate oncogene dependence and are exquisitely sensitive to PI 3 Kα inhibitors (2017) (1)
- The building blocks of caveolae, revealed (2022) (1)
- A multi-task deep-learning system for predicting membrane associations and secondary structures of proteins (2020) (1)
- RosettaTMH: a method for membrane protein structure elucidation combining EPR distance restraints with assembly of transmembrane helices (2015) (1)
- Computational identification of HCV neutralizing antibodies with a common HCDR3 disulfide bond motif in the antibody repertoires of infected individuals (2022) (1)
- The human antibody sequence space and structural design of the V, J regions, and CDRH3 with Rosetta (2022) (1)
- Ranking MOLGEN Structure Proposals by 13 C NMR Chemical Shift Prediction with ANALYZE (2002) (1)
- Protein structure prediction guided by cross-linking restraints — A systematic evaluation of the impact of the cross-linking spacer length (2021) (1)
- Principles of Alternating Access in LeuT-fold Transporters: Commonalities and Divergences. (2022) (1)
- Crystal structure of a chimeric MR78-like antibody chimera-1 Fab (2020) (1)
- Acquired secondary HER2 mutations enhance HER2/MAPK signaling and promote resistance to HER2 kinase inhibition in HER2-mutant breast cancer (2022) (1)
- Conformation of receptor‐bound arrestin‐1: a site‐directed spin labeling study (2011) (1)
- Towards the treatment of Alzheimer's disease: Discovery and development of novel subtype-specific M1 allosteric agonists (2009) (1)
- Selective mode of action of guanidine containing non peptides at human neuropeptide FF receptors (2012) (1)
- Structural characterization of a breast cancer-associated mutation in caveolin-1 (2022) (1)
- First crystal structure of a non-canonical amino acid linked to a paramagnetic lanthanide tag facilitates protein structure determination using NMR-derived restraints (2022) (1)
- [Factors influencing radiation exposure in radiography]. (1992) (1)
- Die Begrenzung der Detailerkennbarkeit im Röntgenbild durch den Schwellenkontrast (1977) (1)
- The Kir channel immunoglobulin domain: a cytoplasmic scaffold essential for (Kir1.1) ROMK channel thermodynamic stability, trafficking and gating (2009) (0)
- Dynamics and Ligand Binding of the GHS G Protein-Coupled Receptor in Lipid Membranes (2018) (0)
- Prostaglandin E2 glyceryl ester is an endogenous agonist of the nucleotide receptor P2Y6 (2017) (0)
- Stabilization of the KCNQ1 Potassium Channel Causes Disease (2020) (0)
- The conformation of active receptor‐bound arrestin (2011) (0)
- Development of Erasin: a chromone-based STAT3 inhibitor which induces apoptosis in Erlotinib-resistant lung cancer cells (2017) (0)
- 3 In silico analysis and experimental verification of OSR1 kinase - Peptide (2014) (0)
- Specificity and affinity of the N-terminal residues in staphylocoagulase in binding to prothrombin. (2020) (0)
- Small integral membrane protein 10 like 1 enhances differentiation of adipose progenitor cells. (2022) (0)
- Optimal Selection of EPR Distance Restraints for Global Folding of Protein Structure (2010) (0)
- Addendum to Using neural networks for 13C NMR chemical shift predictio comparison with ldots (2004) (0)
- The ImpactofNatural Selectionon theEvolutionandFunction of Placentally Expressed Galectins (2019) (0)
- Do available protein 3D structures reflect human genetic and functional diversity? (2019) (0)
- Biophysical and Computational Studies of Human Disease Related Proteins with a Single-Pass Transmembrane Helix (2021) (0)
- Structural comparative modeling of multi-domain ΔF508 CFTR (2021) (0)
- De Novo Atomic-Detail Structure Prediction for Proteins Guided by Medium Resolution Density Maps (2011) (0)
- A druggable binding site in the emerging diuretic target ROMK (893.15) (2014) (0)
- Abstract P176: Familial Autonomic Ganglionopathy Caused by Rare CHRNA3 Genetic Variants. Novel Genetic Cause of Neurogenic Orthostatic Hypotension (2019) (0)
- Abstract 019: T Cell Recognition Of Isolevuglandin-adducted Proteins In Hypertension Is Mhc Class 1-restricted (2022) (0)
- Bedeutung der iterativen Rekonstruktion ISA bei der Diagnostik von Leberhämangiomen (1997) (0)
- 3 Empirical Bayes Method 3 . 1 Regularization and Bayesian Methods (2017) (0)
- Abstract P4-01-02: A spectrum of secondary mutations in HER2 augment breast cancer cell growth and reduce neratinib sensitivity in HER2-mutant breast cancer (2022) (0)
- Pseudocontact shift NMR data obtained from a non-canonical amino acid-linked lanthanide tag improves integral membrane protein structure prediction (2022) (0)
- Crystal Structure of the DiB-RM-split Protein (2021) (0)
- Structural Insight of the Complex of TREM2 and DAP12 in Membrane Bilayer (2020) (0)
- KCNQ1 DDG Calculations and Correlation to Experimental Data (2020) (0)
- The Implementation of Paired Descriptor Functions to Improve Quantitative Structure Activity Relationship Models for Drug Discovery (0)
- Receptor Binding Pocket 4 Y Two Hydrophobic Domains of the Human Pancreatic Polypeptide Is Recognized by Signal Transduction : (2014) (0)
- Correction: PIK3CA C2 Domain Deletions Hyperactivate Phosphoinositide 3-kinase (PI3K), Generate Oncogene Dependence, and Are Exquisitely Sensitive to PI3Kα Inhibitors (2019) (0)
- Effektivität einer Strumatherapie mit L-Thyroxin bei Patienten über 40 Jahre (1998) (0)
- Integrated Structural Biolo gy for a-Helical Membrane Protein Structure Determination Highlights (0)
- Towards Generalizable Predictions for the Effects of Mutations on G-Protein Coupled Receptor Expression (2021) (0)
- Crystal structure of TIM-Barrel protein HisF-C9S (2016) (0)
- Disease-Linked Super-Trafficking of a Mutant Potassium Channel (2020) (0)
- Molecular simulations reveal a mechanism for enhanced allosteric coupling between voltage-sensor and pore domains in KCNQ1 explaining its activation by ML277 (2022) (0)
- Foldit Drug Design Game Usability Study: Comparison of Citizen and Expert Scientists (2020) (0)
- Short title: Evidence for formation of CESA trimers (2015) (0)
- Backbone structure of free bradykinin (BK) in DDM/CHS detergent micelle determined by MAS SSNMR (2018) (0)
- Heterotrimeric complex of the 4 alanine insertion variant of the Gi alpha1 subunit and the Gbeta1-Ggamma1 (2016) (0)
- A newly discovered TSHR variant (L665F) associated with non-autoimmune hyperthyroidism in an Austrian family induces constitutive TSHR activation by steric repulsion between TM1 and TM7 (2014) (0)
- Computational modeling and prediction of deletion mutants. (2023) (0)
- Docking cholesterol to integral membrane proteins with Rosetta (2023) (0)
- Binding of Natural Peptide Ligands to the Neuropeptide Y5 Receptor. (2021) (0)
- Backbone structure of Des-Arg10-Kallidin (DAKD) peptide bound to human Bradykinin 1 Receptor (B1R) determined by DNP-enhanced MAS SSNMR (2018) (0)
- Abstract 1772:PIK3CAC2 domain deletions hyperactivate PI3K, generate oncogene dependence and are exquisitely sensitive to PI3Kα inhibitors (2017) (0)
- Membrane Protein Structure Determination by Coupling Sparse Experimental Data with Protein Structure Prediction Techniques (2009) (0)
- Protein-Ligand Docking with Protein-based and Ligand-based Structure Activity Relationships (2018) (0)
- Characterization of a Druggable Binding site in the Renal Outer Medullary Potassium Channel (2012) (0)
- Abstract 22: Toward automated design of mutant-selective tyrosine kinase inhibitors using dynamic pharmacophore mapping and machine learning (2020) (0)
- Descriptions of the Rosetta board positions. (2020) (0)
- Structure and dynamic signaling of the Y2 receptor (2016) (0)
- Carbon and amide detect backbone assignment methods of a novel repeat protein from the staphylocoagulase in S. aureus (2017) (0)
- Crystal Structure of a Domain-swapped Fluorogen Activating Protein DiB3 Dimer (2020) (0)
- Die effektive Vorfilterung bei Röntgenstrahlern und ihre Angabe in Aluminium-Gleichwerten (1984) (0)
- Second-site suppressors of HIV-1 capsid mutations: restoration of intracellular activities without correction of intrinsic capsid stability defects (2012) (0)
- Abstract 930: On-target resistance to mutant selective EGFR inhibitors develops in an allele-specific manner dependent on the original EGFR activating mutation (2019) (0)
- Back Cover: Position and Length of Fatty Acids Strongly Affect Receptor Selectivity Pattern of Human Pancreatic Polypeptide Analogues (ChemMedChem 11/2014) (2014) (0)
- Commercial spin-off companies from the Rosetta community. (2020) (0)
- Growth in Rosetta PIs and conference attendees. (2020) (0)
- Discovery of novel small-molecule modulators of the human Y4 receptor (2016) (0)
- Addendum to “Using neural networks for 13C NMR chemical shift prediction—comparison with traditional methods” [J. Magn. Reson. 157 (2002) 242–252] (2004) (0)
- Modulationsübertragungsfunktionen und Detailerkennbarkeit beim Tomogramm (1977) (0)
- Integrating Expert Knowledge with Deep Learning Improves QSAR Models for CADD Modeling (2023) (0)
- Protein fold prediction using simulated DEER distance distributions and decay traces (2019) (0)
- Immune repertoire fingerprinting by principal component analysis reveals shared features in subject groups with common exposures (2019) (0)
- Sparse pseudocontact shift NMR data obtained from a non-canonical amino acid-linked lanthanide tag improves integral membrane protein structure prediction. (2023) (0)
- Discovery of novel small-molecule modulators of the human Y4receptor (2016) (0)
- Faculty Opinions recommendation of Visualization and analysis of non-covalent contacts using the Protein Contacts Atlas. (2019) (0)
- Identification of novel allosteric modulators of mGlu5 acting at site distinct from MPEP binding. (2019) (0)
- Structural Dynamics of the Small Multidrug Transporter EMRE (2016) (0)
- NMR solution structure of non-bound [des-Arg10]-kallidin (DAKD) (2018) (0)
- PlaceWaters: Real-time, explicit interface water sampling during Rosetta ligand docking (2022) (0)
- Structure and Physiological Function of the KCNQ1 Channel Voltage Sensor Intermediate State (2020) (0)
- Glycan masking in vaccine design: Targets, immunogens and applications (2023) (0)
- Solution Structure of the Rod Arrestin Tetramer Explains the Mode of Its Formation and Its Inability to Bind Rhodopsin (2008) (0)
- Structural Dynamics of the Ligand-Receptor Interaction of the Neuropeptide Y Receptor Type 2 (2016) (0)
- Serotonin and Supermodels: Model‐guided exploration of hSERT TM6 (2008) (0)
- Discovery and Optimization of a Novel Series of Competitive and Central Nervous System-Penetrant Protease-Activated Receptor 4 (PAR4) Inhibitors. (2021) (0)
- Backbone structure of Des-Arg10-Kallidin (DAKD) peptide in frozen DDM/CHS detergent micelle solution determined by DNP-enhanced MAS SSNMR (2018) (0)
- An active learning framework improves tumor variant interpretation (2021) (0)
- Analysis of OSR1 kinase‐peptide binding substrate interaction through computational protein docking software (893.37) (2014) (0)
- Functional Annotation of KCNQ1 Variants of Unknown Significance using Automated Electrophysiology (2017) (0)
- Three-dimensional spatial analysis of missense variants in RTEL1 identifies pathogenic variants in patients with Familial Interstitial Pneumonia (2018) (0)
- Crystal structure of the DiB-RM protein (2021) (0)
- Structural characterization of the Gβγ–ternary SNARE binding interface (2021) (0)
- Rosetta’s Predictive Ability for Low-Affinity Ligand Binding in Fragment-Based Drug Discovery (2022) (0)
- MutationExplorer - a webserver for mutation of proteins and 3D visualization of energetic impacts (2023) (0)
- A novel protocol for the design of artificial (β/α)8-barrel proteins (2016) (0)
- Members of the RosettaCommons Consortium. (2020) (0)
- An Investigation of Three-finger Toxin – nAChR Interactions through Rosetta Protein Docking (2020) (0)
- Ghrelin Binding at its G Protein-Coupled Receptor (2019) (0)
- Abstract 3173: Integrative structural models of oncogenic mutants within the trans- and juxta-membrane region of human epidermal growth factor receptors (HERs) (2023) (0)
- Author response: Structure and physiological function of the human KCNQ1 channel voltage sensor intermediate state (2020) (0)
- Typical development workflow in the Rosetta community. (2020) (0)
- Mapping the Promiscuous Binding Interface of HOX-A11 with KIX by Experimentally Guided in-silico docking (2021) (0)
- Faculty Opinions recommendation of De novo protein design by citizen scientists. (2019) (0)
- A Novel Method for Guiding Protein-Ligand Docking with QSAR-Derived Pharmacophore Maps (2011) (0)
- Small Molecules as Rotamers: Generation and Docking in RosettaLigand (2008) (0)
- Comparison of specific successes and failures between the RosettaLigand protocols. (2015) (0)
- Laser-induziertes Trockenätzen von Indiumphospid (1990) (0)
- Ligand-Induced and -Independent Internalization of the Chemerin Receptor GPR1 (2021) (0)
- High yield in vitro folding of the Y2 receptor into bicelles for structural studies (2016) (0)
- Structural Basis for KCNE3 and Estrogen Modulation of the KCNQ1 Channel (2016) (0)
- Abstract GS6-04: Co-occurring gain-of-function mutations in HER2 and HER3 modulate HER2/HER3 activation, breast cancer progression, and HER2 inhibitor sensitivity (2020) (0)
- X‐ray structure‐guided analysis of the VU591 binding site in ROMK (2011) (0)
- Receptor‐activation opens the door to GDP release in Heterotrimeric G proteins (2011) (0)
- 648 Distinct proteostasis and structural states drive VX-809 susceptibility of cystic fibrosis transmembrane conductance regulator mutants (2022) (0)
- An Empirical Bayes Approach to Regularization Using Previously Published Models (2017) (0)
- Asymmetric syntheses identify preferred stereochemistry in small molecule allosteric modulators of the neuropeptide Y4 receptor (2019) (0)
- Details of Remaining Collective Challenges. (2020) (0)
- Vereinfachte Bestimmung des effektiven Vorfilters von Röntgenstrahlern (1989) (0)
- Fast Determination of 13C NMR Chemical Shifts Using Artificial Neural Networks. (2001) (0)
- Structural basis of ligand binding modes at the neuropeptide Y Y1 receptor (2018) (0)
- Abstract 867: EGFR kinase domain duplication (EGFR-KDD) is activated by asymmetric intra-molecular dimerization (2019) (0)
- Faculty Opinions recommendation of Ultra-large library docking for discovering new chemotypes. (2019) (0)
- Functional Consequences of Incidentally Discovered KCNQ1 Variants Determined by Automated Electrophysiology (2020) (0)
- Allosteric modulators to target the human Y4 receptor (2016) (0)
- Abstracts list 1 - Identity matters: Ggamma-type dictates efficacy of Gbetagamma signaling and cellular decisions (2018) (0)
- Die Röntgenstrahlendosis für effektive Aluminium-Filterungen (1985) (0)
- Computational Modeling Suggests a Mechanism of Inhibition of SPAK/OSR1 by a known RFxV Pocket Inhibitor (2015) (0)
- Solution NMR structure of the KCNQ1 voltage-sensing domain (2020) (0)
- Structural Studies of Plant CESA Support Eighteen CESAs in the Plant CSC (2016) (0)
- Therapeutic human monoclonal antibody MR191 bound to a marburgvirus glycoprotein (2018) (0)
- Impact of Post-Translational Modification on MHC Peptide Binding and TCR Engagement (2023) (0)
- Evolution of Conditional Cooperativity 1 Between HOXA 11 and FOXO 1 Through 2 Allosteric Regulation 3 4 5 (2015) (0)
- Predicting Models for a Domain of DNA-PKcs (2011) (0)
- Faculty Opinions recommendation of A standardized citation metrics author database annotated for scientific field. (2019) (0)
- Green fluorescent protein from Aequorea macrodactyla - amacGFP (2021) (0)
- Comparison of agonist and antagonist binding sites of the neuropeptide Y receptor 2 (2016) (0)
- Values Statement: Equality and Inclusion in the RosettaCommons. (2020) (0)
- Correction to Design of Native-like Proteins through an Exposure-Dependent Environment Potential (2011) (0)
- NMR structure of human KCNE1 in LMPG micelles at pH 6.0 and 40 degree C (2008) (0)
- Computational design of an eight-stranded (beta/alpha)-barrel from fragments of different folds (2012) (0)
- Crystal Structure of the wtBlc-split Protein (2020) (0)
- Crystal structure of the 4 alanine insertion variant of the Gi alpha1 subunit bound to GTPgammaS (2016) (0)
- Elucidation of Global Trends in the Effects of VX-661 and VX-445 on the Expression of Clinical CFTR Variants (2022) (0)
- Cryo-EM Guided de novo Protein Fold Elucidation (2009) (0)
- Specific tests for Rosetta running on our automated testing framework. (2020) (0)
- Backbone structure of bradykinin (BK) peptide bound to human Bradykinin 2 Receptor (B2R) determined by MAS SSNMR (2018) (0)
- Template-free prediction of a new protein fold and oligomeric assembly by Alphafold2 (2022) (0)
- Crystal Structure of a DiB2-split Protein (2020) (0)
- Integrative model of the FSH receptor reveals the structural role of the flexible hinge region. (2022) (0)
- Improving the Modeling of Extracellular Ligand Binding Pockets in RosettaGPCR for Conformational Selection (2023) (0)
- [Roentgen ray dose for effective aluminum filtering]. (1985) (0)
- [Prefilter characteristics of modern x-ray tubes and their associated radiation relations]. (1985) (0)
- [Generally poor definition with oblique incidence of x-rays on the converter (author's transl)]. (1979) (0)
- Hydroxamic Acids Immobilized on Resins (HAIRs): Synthese von Dual‐Target‐HDAC‐Inhibitoren und HDAC‐PROTACs (2020) (0)
- [Irreality of the tangential effect (author's transl)]. (1981) (0)
- [Roentgen radiation dosage using the 2-pulse technic]. (1988) (0)
- [Modulation transfer function of the radiograph (author's transl)]. (1976) (0)
- [Limitations of detail recognition in radiographs due to threshold contrast values (author's transl)]. (1977) (0)
- [Pre-filtration of an x-ray source and the radiation exposure of patients]. (1989) (0)
- PyIR: a scalable wrapper for processing billions of immunoglobulin and T cell receptor sequences using IgBLAST (2020) (0)
- [Effective prefiltration of roentgen tubes and its amount in aluminum equivalent units]. (1984) (0)
- [Simplified determination of the effective prefiltration of an X-ray tube]. (1989) (0)
- [Automatic dose-rate control during linear tomography (author's transl)]. (1977) (0)
- [The value of the x-ray spectrum with regard to x-ray filtration (author's transl)]. (1982) (0)
- The Importance of the Iterative Reconstruction ISjAl in Diagnosing Liver Hemangioma (1997) (0)
- [Effective prefilter and patient dosage]. (1986) (0)
- [Radiation burden of the patient in roentgen exposures]. (1987) (0)
- Computational epitope mapping of class I fusion proteins using low complexity supervised learning methods (2022) (0)
- [Transversal blurring in tomography (author's transl)]. (1979) (0)
- [Pre-filtration of an x-ray radiation source in 2-pulse operation]. (1987) (0)
- [Anode filtration and its contribution to the total inherent filtration of an x-ray tube]. (1987) (0)
- [Identification of details in the tomography, especially in the transverse tomogram (author's transl)]. (1980) (0)
- [The effect of increased performance of modern x-ray tubes on improvements in picture quality, particularly of moving organs (author's transl)]. (1976) (0)
- Abstract 948: An Allosteric Mechanism for Drug Block of a Cardiac Potassium Channel (2007) (0)
- Tracing the evolution of the heterotrimeric G protein α subunit in Metazoa (2018) (0)
- Computational redesign of a fluorogen activating protein with Rosetta (2021) (0)
- Structure of the Intermediate State of the Human KCNQ1 Channel Voltage-Sensor Domain (2019) (0)
- [Optimal blurring in tomography (author's transl)]. (1978) (0)
- Computationally designed two-fold symmetric Tim-barrel protein, FLR (2011) (0)
- DiB-splits: nature-guided design of a novel fluorescent labeling split system (2020) (0)
- ted Artificial Neural Network for QSAR M (2011) (0)
- Computational epitope mapping of class I fusion proteins using Bayes classification (2022) (0)
- Conformational Changes of CaMKII: A Model of Activation (2010) (0)
- [Modulation transmission function and detail recognition in tomograms (author's transl)]. (1977) (0)
- 3.9 Klinischer Stellenwert eines neuen 3-Generations-Thyreoglobulin (TG)-immunoradiometrischen-Assays (IRMA) in der Nachsorge des differenzierten Schilddrüsenkarzinoms (2004) (0)
- A Model of Human Potassium Channel KCNQ1 Modulation by Accessory Protein KCNE3 (2014) (0)
- Comprehensive functional evaluation of KCNE1 variants using automated patch clamp recording (2022) (0)
- Membrane Protein Structure Determination Through Assembly of Trans-Membrane Helices Guided by Limited Experimental Data (2013) (0)
- Structural dynamics of the ligand–receptor interaction of the neuropeptide Y receptor type 2 (2016) (0)
- Confirmation of association of TGFBI p.Ser591Phe mutation with variant lattice corneal dystrophy (2022) (0)
- Author response: Allosteric mechanism for KCNE1 modulation of KCNQ1 potassium channel activation (2020) (0)
- Cover Picture: The High‐Resolution Solution Structure of Epothilone A Bound to Tubulin: An Understanding of the Structure–Activity Relationships for a Powerful Class of Antitumor Agents (Angew. Chem. Int. Ed. 22/2003) (2003) (0)
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