Vincent Zoete
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Vincent Zoetecomputer-science Degrees
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Computer Science
Vincent Zoete's Degrees
- PhD Computer Science ETH Zurich
- Masters Computer Science University of Zurich
- Bachelors Computer Science University of Zurich
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(Suggest an Edit or Addition)Vincent Zoete'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
- SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules (2017) (5459)
- SwissParam: A fast force field generation tool for small organic molecules (2011) (1282)
- SwissDock, a protein-small molecule docking web service based on EADock DSS (2011) (1255)
- SwissTargetPrediction: updated data and new features for efficient prediction of protein targets of small molecules (2019) (1075)
- A BOILED‐Egg To Predict Gastrointestinal Absorption and Brain Penetration of Small Molecules (2016) (912)
- SwissTargetPrediction: a web server for target prediction of bioactive small molecules (2014) (780)
- iLOGP: A Simple, Robust, and Efficient Description of n-Octanol/Water Partition Coefficient for Drug Design Using the GB/SA Approach (2014) (414)
- Exome sequencing identifies recurrent somatic MAP2K1 and MAP2K2 mutations in melanoma (2011) (386)
- Fast docking using the CHARMM force field with EADock DSS (2011) (356)
- Inhibition of the shade avoidance response by formation of non‐DNA binding bHLH heterodimers (2009) (343)
- Peroxisome proliferator-activated receptor structures: ligand specificity, molecular switch and interactions with regulators. (2007) (336)
- Genomic analysis identifies new drivers and progression pathways in skin basal cell carcinoma (2016) (327)
- The Endocrine Disruptor Monoethyl-hexyl-phthalate Is a Selective Peroxisome Proliferator-activated Receptor γ Modulator That Promotes Adipogenesis* (2007) (305)
- Shaping the interaction landscape of bioactive molecules (2013) (259)
- Defining and searching for structural motifs using DeepView/Swiss-PdbViewer (2012) (254)
- Personalized cancer vaccine effectively mobilizes antitumor T cell immunity in ovarian cancer (2018) (251)
- Study of the insulin dimerization: Binding free energy calculations and per‐residue free energy decomposition (2005) (197)
- Evidence for a TCR Affinity Threshold Delimiting Maximal CD8 T Cell Function (2010) (195)
- SwissSimilarity: A Web Tool for Low to Ultra High Throughput Ligand-Based Virtual Screening (2016) (193)
- EADock: Docking of small molecules into protein active sites with a multiobjective evolutionary optimization (2007) (182)
- Challenges in the Discovery of Indoleamine 2,3-Dioxygenase 1 (IDO1) Inhibitors. (2015) (162)
- Docking, virtual high throughput screening and in silico fragment-based drug design (2009) (158)
- Rational design of indoleamine 2,3-dioxygenase inhibitors. (2010) (144)
- Rational design of 4-aryl-1,2,3-triazoles for indoleamine 2,3-dioxygenase 1 inhibition. (2012) (141)
- Relation between sequence and structure of HIV-1 protease inhibitor complexes: a model system for the analysis of protein flexibility. (2002) (135)
- Comparison between computational alanine scanning and per‐residue binding free energy decomposition for protein–protein association using MM‐GBSA: Application to the TCR‐p‐MHC complex (2007) (121)
- Interplay between T Cell Receptor Binding Kinetics and the Level of Cognate Peptide Presented by Major Histocompatibility Complexes Governs CD8+ T Cell Responsiveness* (2012) (114)
- Design, synthesis, and biological evaluation of HSP90 inhibitors based on conformational analysis of radicicol and its analogues. (2005) (105)
- Sensitive and frequent identification of high avidity neo-epitope specific CD8+ T cells in immunotherapy-naive ovarian cancer (2018) (100)
- SwissBioisostere: a database of molecular replacements for ligand design (2012) (98)
- SwissSidechain: a molecular and structural database of non-natural sidechains (2012) (91)
- MM–GBSA binding free energy decomposition and T cell receptor engineering (2010) (81)
- Structure-Function Analyses Point to a Polynucleotide-Accommodating Groove Essential for APOBEC3A Restriction Activities (2010) (76)
- Double proton transfer in the isolated and DNA-embedded guanine-cytosine base pair. (2004) (72)
- A comparison of the dynamic behavior of monomeric and dimeric insulin shows structural rearrangements in the active monomer. (2004) (67)
- Functional Analysis and Structural Modeling of Human APOBEC3G Reveal the Role of Evolutionarily Conserved Elements in the Inhibition of Human Immunodeficiency Virus Type 1 Infection and Alu Transposition (2009) (59)
- Model Structure of Human APOBEC3G (2007) (58)
- Detailed analysis and follow-up studies of a high-throughput screening for indoleamine 2,3-dioxygenase 1 (IDO1) inhibitors. (2014) (58)
- Toward On-The-Fly Quantum Mechanical/Molecular Mechanical (QM/MM) Docking: Development and Benchmark of a Scoring Function (2014) (56)
- Importance of individual side chains for the stability of a protein fold: Computational alanine scanning of the insulin monomer (2006) (54)
- Blind docking of 260 protein–ligand complexes with EADock 2.0 (2009) (52)
- Two-step mechanism of induction of the gene expression of a prototypic cancer-protective enzyme by diphenols. (2008) (51)
- Structure-Based, Rational Design of T Cell Receptors (2013) (50)
- Protein-ligand binding free energy estimation using molecular mechanics and continuum electrostatics. Application to HIV-1 protease inhibitors (2003) (50)
- Sequence Determinants of a Microtubule Tip Localization Signal (MtLS)* (2012) (49)
- Biallelic variants in KIF14 cause intellectual disability with microcephaly (2018) (49)
- The SIB Swiss Institute of Bioinformatics’ resources: focus on curated databases (2015) (47)
- Drug Design Workshop: A Web-Based Educational Tool To Introduce Computer-Aided Drug Design to the General Public (2017) (44)
- T-cell repertoire analysis and metrics of diversity and clonality. (2020) (42)
- Distinct sets of αβ TCRs confer similar recognition of tumor antigen NY-ESO-1157–165 by interacting with its central Met/Trp residues (2008) (42)
- Inhibition Mechanisms of Indoleamine 2,3-Dioxygenase 1 (IDO1). (2019) (42)
- How T cell receptors interact with peptide‐MHCs: A multiple steered molecular dynamics study (2011) (41)
- Cathepsin S Regulates Antigen Processing and T Cell Activity in Non-Hodgkin Lymphoma. (2020) (40)
- The peroxisomal enzyme L-PBE is required to prevent the dietary toxicity of medium-chain fatty acids. (2013) (40)
- RNA pentaloop structures as effective targets of regulators belonging to the RsmA/CsrA protein family (2013) (38)
- On-the-Fly QM/MM Docking with Attracting Cavities (2017) (37)
- How inaccuracies in protein structure models affect estimates of protein–ligand interactions: Computational analysis of HIV‐I protease inhibitor binding (2006) (36)
- Pharmacological disruption of the Notch transcription factor complex (2020) (35)
- Mutant CTNNB1 and histological heterogeneity define metabolic subtypes of hepatoblastoma (2017) (34)
- Docking to heme proteins (2009) (34)
- Application of the SwissDrugDesign Online Resources in Virtual Screening (2019) (33)
- Myeloid antigen-presenting cell niches sustain antitumor T cells and license PD-1 blockade via CD28 costimulation. (2021) (33)
- Combined Simulation and Mutagenesis Analyses Reveal the Involvement of Key Residues for Peroxisome Proliferator-activated Receptorα Helix 12 Dynamic Behavior* (2007) (33)
- Redox ranking of inducers of a cancer-protective enzyme via the energy of their highest occupied molecular orbital. (2004) (33)
- The caveolin-binding motif of the pathogen-related yeast protein Pry1, a member of the CAP protein superfamily, is required for in vivo export of cholesteryl acetate (2014) (32)
- Use of the FACTS solvation model for protein–ligand docking calculations. Application to EADock (2010) (31)
- Unique Spectrum of Activity of Prosimian TRIM5α against Exogenous and Endogenous Retroviruses (2011) (31)
- Lung adenocarcinoma with BRAF G469L mutation refractory to vemurafenib. (2013) (29)
- Design of short peptides to block BTLA/HVEM interactions for promoting anticancer T-cell responses (2017) (29)
- Attracting cavities for docking. Replacing the rough energy landscape of the protein by a smooth attracting landscape (2015) (28)
- In vitro biotransformation of imatinib by the tumor expressed CYP1A1 and CYP1B1 (2008) (28)
- 4-Mercaptoimidazoles derived from the naturally occurring antioxidant ovothiols 2. Computational and experimental approach of the radical scavenging mechanism (2000) (28)
- 1,2,3-Triazoles as inhibitors of indoleamine 2,3-dioxygenase 2 (IDO2). (2016) (28)
- A Novel Population of Human Melanoma-Specific CD8 T Cells Recognizes Melan-AMART-1 Immunodominant Nonapeptide but Not the Corresponding Decapeptide1 (2007) (27)
- Design and Validation of a Novel Generic Platform for the Production of Tetravalent IgG1-like Bispecific Antibodies (2016) (27)
- Design, synthesis and antioxidant properties of ovothiol-derived 4-mercaptoimidazoles (1997) (27)
- Protein pocket and ligand shape comparison and its application in virtual screening (2013) (27)
- Investigation of glucose binding sites on insulin (2004) (26)
- A dramatic lung cancer course in a patient with a rare EGFR germline mutation exon 21 V843I: Is EGFR TKI resistance predictable? (2013) (25)
- Expanding molecular modeling and design tools to non‐natural sidechains (2012) (25)
- Durable Suppression of Acquired MEK Inhibitor Resistance in Cancer by Sequestering MEK from ERK and Promoting Anti-Tumor T-cell Immunity. (2020) (25)
- Sensitive identification of neoantigens and cognate TCRs in human solid tumors (2021) (24)
- T cell receptor alpha variable 12‐2 bias in the immunodominant response to Yellow fever virus (2017) (24)
- Protonation Equilibria of Hoechst 33258 in Aqueous Solution (2005) (24)
- Monoubiquitination and Activity of the Paracaspase MALT1 Requires Glutamate 549 in the Dimerization Interface (2013) (24)
- Identification of human IKK-2 inhibitors of natural origin (Part II): in Silico prediction of IKK-2 inhibitors in natural extracts with known anti-inflammatory activity. (2011) (23)
- Pan-SRC kinase inhibition blocks B-cell receptor oncogenic signaling in non-Hodgkin lymphoma. (2018) (22)
- Potency of inhibition of human DNA topoisomerase I by flavones assessed through physicochemical parameters. (2011) (21)
- The SwissSimilarity 2021 Web Tool: Novel Chemical Libraries and Additional Methods for an Enhanced Ligand-Based Virtual Screening Experience (2022) (21)
- Identification of Human IKK-2 Inhibitors of Natural Origin (Part I): Modeling of the IKK-2 Kinase Domain, Virtual Screening and Activity Assays (2011) (21)
- The impact of structural bioinformatics tools and resources on SARS-CoV-2 research and therapeutic strategies (2020) (21)
- FGFR2 Extracellular Domain In-Frame Deletions are Therapeutically Targetable Genomic Alterations that Function as Oncogenic Drivers in Cholangiocarcinoma. (2021) (21)
- A WXW Motif Is Required for the Anticancer Activity of the TAT-RasGAP317–326 Peptide* (2014) (20)
- Asymmetric synthesis of pochonin E and F, revision of their proposed structure, and their conversion to potent Hsp90 inhibitors. (2012) (20)
- Proteolysis of HCF-1 by Ser/Thr glycosylation-incompetent O-GlcNAc transferase:UDP-GlcNAc complexes (2016) (20)
- Biallelic variants in LINGO1 are associated with autosomal recessive intellectual disability, microcephaly, speech and motor delay (2018) (20)
- Bi-allelic Variants in DYNC1I2 Cause Syndromic Microcephaly with Intellectual Disability, Cerebral Malformations, and Dysmorphic Facial Features. (2019) (19)
- On the influence of semirigid environments on proton transfer along molecular chains. (2004) (18)
- Homology-based Identification of Capsid Determinants That Protect HIV1 from Human TRIM5α Restriction* (2010) (18)
- TCRep 3D: An Automated In Silico Approach to Study the Structural Properties of TCR Repertoires (2011) (18)
- Structural assessment of single amino acid mutations: application to TP53 function (2006) (17)
- Biallelic variants in FBXL3 cause intellectual disability, delayed motor development and short stature (2018) (17)
- Herpes simplex encephalitis in adult patients with MASP-2 deficiency (2019) (16)
- Molecular orbital theory applied to the study of nonsteroidal anti-inflammatory drug efficiency. (1999) (16)
- Biallelic variants in PSMB1 encoding the proteasome subunit β6 cause impairment of proteasome function, microcephaly, intellectual disability, developmental delay and short stature. (2020) (15)
- The Binding Mode of N-Hydroxyamidines to Indoleamine 2,3-Dioxygenase 1 (IDO1). (2017) (15)
- Potency ranking of triterpenoids as inducers of a cytoprotective enzyme and as inhibitors of a cellular inflammatory response via their electron affinity and their electrophilicity index. (2010) (15)
- Distinct OGT-Binding Sites Promote HCF-1 Cleavage (2015) (15)
- Genotype-phenotype correlations of TGFBI p.Leu509Pro, p.Leu509Arg, p.Val613Gly, and the allelic association of p.Met502Val-p.Arg555Gln mutations (2011) (15)
- Disulfide-Linked Peptides for Blocking BTLA/HVEM Binding (2020) (13)
- Fifteen years SIB Swiss Institute of Bioinformatics: life science databases, tools and support (2014) (13)
- Rational Design, Synthesis, and Pharmacological Characterization of Novel Ghrelin Receptor Inverse Agonists as Potential Treatment against Obesity-Related Metabolic Diseases. (2018) (13)
- Protein homology reveals new targets for bioactive small molecules (2015) (12)
- Mutations in the palm domain disrupt modulation of acid-sensing ion channel 1a currents by neuropeptides (2019) (11)
- 4-epi-Isofagomine derivatives as pharmacological chaperones for the treatment of lysosomal diseases linked to β-galactosidase mutations: Improved synthesis and biological investigations. (2018) (11)
- VEGFR-2 redirected CAR-T cells are functionally impaired by soluble VEGF-A competition for receptor binding (2021) (11)
- The CAP1/Prss8 catalytic triad is not involved in PAR2 activation and protease nexin‐1 (PN‐1) inhibition (2014) (10)
- T-Cell Receptors Binding Orientation over Peptide/MHC Class I Is Driven by Long-Range Interactions (2012) (9)
- Debio 0617B Inhibits Growth of STAT3-Driven Solid Tumors through Combined Inhibition of JAK, SRC, and Class III/V Receptor Tyrosine Kinases (2016) (9)
- Physicochemical properties of exogenous molecules correlated with their biological efficacy as protectors against carcinogenesis and inflammation (2013) (9)
- A community proposal to integrate structural bioinformatics activities in ELIXIR (3D-Bioinfo Community) (2020) (9)
- Conformational analysis of a stereochemically complete set of cis-enediol peptide analogues. (2002) (8)
- Deciphering the Mechanisms of Improved Immunogenicity of Hypochlorous Acid-Treated Antigens in Anti-Cancer Dendritic Cell-Based Vaccines (2020) (8)
- Mechanism of action in a 4,5-diarylpyrrole series of selective cyclo-oxygenase-2 inhibitors. (2000) (8)
- Influenza A viruses balance ER stress with host protein synthesis shutoff (2021) (8)
- The T-Cell Receptor Can Bind to the Peptide-Bound Major Histocompatibility Complex and Uncomplexed β2-Microglobulin through Distinct Binding Sites. (2017) (8)
- Secondary IDH1 resistance mutations and oncogenic IDH2 mutations cause acquired resistance to ivosidenib in cholangiocarcinoma (2022) (7)
- Synthesis and in vitro evaluation of a novel radioligand for αvβ3 integrin receptor imaging: [18F]FPPA-c(RGDfK). (2013) (6)
- Azole-Based Indoleamine 2,3-Dioxygenase 1 (IDO1) Inhibitors. (2021) (6)
- Analysis of Secondary Structure Biases in Naturally Presented HLA-I Ligands (2019) (6)
- Swiss-PO: a new tool to analyze the impact of mutations on protein three-dimensional structures for precision oncology (2021) (5)
- Recurrent Structural Motifs in Non-Homologous Protein Structures (2013) (5)
- Fourier transform convolution integrals applied to generalized Born molecular volume (2009) (4)
- Structure and Plasticity of Indoleamine 2,3-Dioxygenase 1 (IDO1). (2021) (4)
- Title : The CAP 1 / Prss 8 catalytic triad is not involved in PAR 2 activation and protease nexin-1 ( PN-1 ) inhibition (4)
- Going Beyond the Sequences: TCR Binding Patterns at the Service of Cancer Detection. (2019) (4)
- Machine learning predictions of MHC-II specificities reveal alternative binding mode of class II epitopes (2022) (4)
- Electron affinity of tricyclic, bicyclic, and monocyclic compounds containing cyanoenones correlates with their potency as inducers of a cytoprotective enzyme. (2016) (4)
- Insulin: a model system for nanomedicine? (2006) (4)
- Probing the Conformational Dynamics of Affinity-Enhanced T Cell Receptor Variants upon Binding the Peptide-Bound Major Histocompatibility Complex by Hydrogen/Deuterium Exchange Mass Spectrometry. (2021) (3)
- Prediction of Cross-Recognition of Peptide-HLA A2 by Melan-A-Specific Cytotoxic T Lymphocytes Using Three-Dimensional Quantitative Structure-Activity Relationships (2013) (3)
- The conserved threonine-rich region of the HCF-1PRO repeat activates promiscuous OGT:UDP-GlcNAc glycosylation and proteolysis activities (2018) (3)
- Computer-Aided Drug Design for Cancer Therapy (2021) (3)
- Trametinib Induces the Stabilization of a Dual GNAQ p.Gly48Leu- and FGFR4 p.Cys172Gly-Mutated Uveal Melanoma. The Role of Molecular Modelling in Personalized Oncology (2020) (3)
- Educational Tools to Introduce Computer-Aided Drug Design to Students and to the Public at Large. (2018) (3)
- Structural Prediction of Peptide-MHC Binding Modes. (2022) (3)
- Human genome meeting 2016 (2016) (3)
- A roadmap for driving CAR T cells toward the oncogenic immunopeptidome. (2022) (3)
- Both APRIL and antibody-fragment-based CAR T cells for myeloma induce BCMA downmodulation by trogocytosis and internalization (2022) (2)
- Inhibitors of the Kynurenine Pathway (2017) (2)
- SwissBioisostere 2021: updated structural, bioactivity and physicochemical data delivered by a reshaped web interface (2021) (2)
- Dominant monoallelic variant in the PAK2 gene causes Knobloch syndrome type 2. (2021) (2)
- Immunogenomic analysis of human brain metastases reveals diverse immune landscapes across genetically distinct tumors (2023) (2)
- Biallelic variants in LINGO1 are associated with autosomal recessive intellectual disability, microcephaly, speech and motor delay (2017) (1)
- Structure-based optimization of type III indoleamine 2,3-dioxygenase 1 (IDO1) inhibitors (2022) (1)
- Cover Picture: A BOILED‐Egg To Predict Gastrointestinal Absorption and Brain Penetration of Small Molecules (ChemMedChem 11/2016) (2016) (1)
- Molecular Dynamics-based Free Energy Simulations (2008) (1)
- The actin assembly requirements of the formin Fus1 to build the fusion focus (2022) (1)
- Molecular Modeling of Proteins: From Simulations to Drug Design Applications (2009) (1)
- Defining and searching for structural motifs using DeepView/Swiss-PdbViewer (2012) (1)
- Bi-allelic TTI1 variants cause an autosomal-recessive neurodevelopmental disorder with microcephaly. (2023) (1)
- Crystal structure of indoleamine 2,3-dioxygenase 1 (IDO1) in complex with ferric heme and MMG-0363 (2021) (0)
- Crystal structure of indoleamine 2,3-dioxygenase 1 (IDO1) in complex with ferric heme and MMG-0706 (2021) (0)
- Strong Enrichment of Aromatic and Sulfur-Containing Residues in Ligand-Protein Binding Sites (2019) (0)
- Rapid BCMA downmodulation on myeloma cells upon CAR T cell contact is mediated by trogocytosis and BCMA internalization (2022) (0)
- Coming Soon, Volume 37, Issue 3 (2016) (0)
- Mutations in the palm domain disrupt modulation of acid-sensing ion channel 1a currents by neuropeptides (2019) (0)
- Identification of a superagonist variant of the immunodominant Yellow fever virus epitope NS4b 214-222 by combinatorial peptide library screening. (2020) (0)
- Production and characterisation of rationally optimised, anti-melanoma T-cell receptors: a step closer towards immunotherapeutic treatment for patients (2008) (0)
- Crystal structure of indoleamine 2,3-dioxygenase 1 (IDO1) in complex with ferric heme and MMG-0358 (2019) (0)
- Dominant monoallelic variant in the PAK2 gene causes Knobloch syndrome type 2 (2020) (0)
- Drug design for high school students, high school teachers and the public at large (2015) (0)
- Title The peroxisomal enzyme L-PBE is required to preventthe dietary toxicity of medium-chain Fatty acids (2017) (0)
- Mutant CTNNB 1 and histological heterogeneity define metabolic subtypes of hepatoblastoma CRIPPA (2018) (0)
- Introducing computer-aided drug design – a practical guide (2020) (0)
- Decapeptide Nonapeptide but Not the Corresponding ImmunodominantMART-1 MelanA Melanoma-Specific CD 8 T Cells Recognizes A Novel Population of Human (2007) (0)
- Design, Synthesis and Antioxidant Properties of Ovothiol‐Derived 4‐Mercaptoimidazoles. (1998) (0)
- Human genome meeting 2016 (2016) (0)
- Response and Resistance to Trametinib in MAP2K1-Mutant Triple-Negative Melanoma (2023) (0)
- Supporting information S1Fig S2Fig S3Fig S1Table (2015) (0)
- Erratum (2013) (0)
- Crystal structure of indoleamine 2,3-dioxygenase 1 (IDO1) in complex with ferric heme and MMG-0752 (2021) (0)
- Structure-based prediction of BRAF mutation classes using machine-learning approaches (2022) (0)
- FOXI3 pathogenic variants cause one form of craniofacial microsomia (2023) (0)
- The Romand Network of Oncology: bridging the gap of personalised oncology (2019) (0)
- Cathepsin SRegulatesAnt igenProcessing andTCell Activity in Non-Hodgkin Lymphoma (0)
- 59P Oncolytic adenovirus-based therapeutics to target or reprogram glioma-associated macrophages (2021) (0)
- Heterozygous variants in CTR9, which encodes a major component of the PAF1 complex, are associated with a neurodevelopmental disorder. (2022) (0)
- Biallelic variants in KIF14 cause intellectual disability with microcephaly (2018) (0)
- Sensitive and frequent identification of high avidity neo-epitope specific CD8+ T cells in immunotherapy-naive ovarian cancer (2018) (0)
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What Schools Are Affiliated With Vincent Zoete?
Vincent Zoete is affiliated with the following schools: