Gerhard Hummer
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Chemistry Physics
Gerhard Hummer's Degrees
- PhD Physics University of Göttingen
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(Suggest an Edit or Addition)Gerhard Hummer'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
- Water conduction through the hydrophobic channel of a carbon nanotube (2001) (2771)
- System-Size Dependence of Diffusion Coefficients and Viscosities from Molecular Dynamics Simulations with Periodic Boundary Conditions (2004) (967)
- Guidelines for the use and interpretation of assays for monitoring autophagy (4th edition)1 (2021) (811)
- Osmotic water transport through carbon nanotube membranes (2003) (765)
- Free energy reconstruction from nonequilibrium single-molecule pulling experiments (2001) (737)
- Optimized molecular dynamics force fields applied to the helix-coil transition of polypeptides. (2009) (720)
- Intrinsic rates and activation free energies from single-molecule pulling experiments. (2006) (672)
- Papain-like protease regulates SARS-CoV-2 viral spread and innate immunity (2020) (623)
- Water in nonpolar confinement: from nanotubes to proteins and beyond. (2008) (583)
- Theory, analysis, and interpretation of single-molecule force spectroscopy experiments (2008) (557)
- On the free energy of ionic hydration (1995) (534)
- The pressure dependence of hydrophobic interactions is consistent with the observed pressure denaturation of proteins. (1998) (512)
- Native contacts determine protein folding mechanisms in atomistic simulations (2013) (459)
- In situ structural analysis of SARS-CoV-2 spike reveals flexibility mediated by three hinges (2020) (436)
- Coarse master equations for peptide folding dynamics. (2008) (426)
- An information theory model of hydrophobic interactions. (1996) (421)
- Reaction coordinates and rates from transition paths. (2005) (409)
- Are current molecular dynamics force fields too helical? (2008) (396)
- Kinetics from nonequilibrium single-molecule pulling experiments. (2003) (392)
- Equation-free: The computer-aided analysis of complex multiscale systems (2004) (382)
- Single-file transport of water molecules through a carbon nanotube. (2002) (327)
- Position-dependent diffusion coefficients and free energies from Bayesian analysis of equilibrium and replica molecular dynamics simulations (2005) (323)
- From transition paths to transition states and rate coefficients. (2004) (319)
- Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation (2015) (307)
- Proton transport through water-filled carbon nanotubes. (2003) (288)
- Hydrophobic Effects on a Molecular Scale (1998) (262)
- Coordinate-dependent diffusion in protein folding (2009) (253)
- Coarse-grained models for simulations of multiprotein complexes: application to ubiquitin binding. (2008) (243)
- Water-gated mechanism of proton translocation by cytochrome c oxidase. (2003) (242)
- Coarse molecular dynamics of a peptide fragment: Free energy, kinetics, and long-time dynamics computations (2002) (229)
- SAXS ensemble refinement of ESCRT-III CHMP3 conformational transitions. (2011) (227)
- Molecular dynamics simulations of Alzheimer's β-amyloid protofilaments (2005) (220)
- Activation of the Unfolded Protein Response by Lipid Bilayer Stress. (2017) (217)
- Fast-growth thermodynamic integration: Error and efficiency analysis (2001) (212)
- New perspectives on hydrophobic effects (2000) (204)
- Binding-Induced Folding of a Natively Unstructured Transcription Factor (2008) (198)
- Filling and emptying kinetics of carbon nanotubes in water (2002) (197)
- New perspectives on proton pumping in cellular respiration. (2015) (195)
- Water clusters in nonpolar cavities. (2004) (190)
- The hydration number of Li{sup +} in liquid water (2000) (185)
- Free energy surfaces from single-molecule force spectroscopy. (2005) (184)
- Convergence and error estimation in free energy calculations using the weighted histogram analysis method (2012) (183)
- Electric field and temperature effects on water in the narrow nonpolar pores of carbon nanotubes. (2004) (178)
- Ion transport through membrane-spanning nanopores studied by molecular dynamics simulations and continuum electrostatics calculations. (2005) (174)
- Watching a signaling protein function in real time via 100-ps time-resolved Laue crystallography (2012) (173)
- Cooperative water filling of a nonpolar protein cavity observed by high-pressure crystallography and simulation. (2005) (172)
- Extracting kinetics from single-molecule force spectroscopy: nanopore unzipping of DNA hairpins. (2007) (170)
- Outcome of the First wwPDB Hybrid/Integrative Methods Task Force Workshop. (2015) (163)
- Ion sizes and finite-size corrections for ionic-solvation free energies (1997) (156)
- Catalytic mechanism of RNA backbone cleavage by ribonuclease H from quantum mechanics/molecular mechanics simulations. (2011) (156)
- Bayesian ensemble refinement by replica simulations and reweighting. (2015) (155)
- Molecular Theories and Simulation of Ions and Polar Molecules in Water (1998) (151)
- Nucleic acid transport through carbon nanotube membranes. (2004) (151)
- Slow protein conformational dynamics from multiple experimental structures: the helix/sheet transition of arc repressor. (2005) (149)
- Pore opening and closing of a pentameric ligand-gated ion channel (2010) (144)
- Protein conformational transitions explored by mixed elastic network models (2007) (143)
- Conformation space of a heterodimeric ABC exporter under turnover conditions (2019) (142)
- Reactive flux and folding pathways in network models of coarse-grained protein dynamics. (2009) (141)
- Water penetration and escape in proteins (2000) (141)
- Crystal Structure and Allosteric Activation of Protein Kinase C βII (2011) (140)
- Free energy profiles from single-molecule pulling experiments (2010) (134)
- Diffusive model of protein folding dynamics with Kramers turnover in rate. (2006) (134)
- Calculation of free‐energy differences from computer simulations of initial and final states (1996) (133)
- Macroscopically ordered water in nanopores (2008) (132)
- Pulling direction as a reaction coordinate for the mechanical unfolding of single molecules. (2008) (132)
- Unveiling functional protein motions with picosecond x-ray crystallography and molecular dynamics simulations. (2004) (131)
- Glutamic acid 242 is a valve in the proton pump of cytochrome c oxidase (2008) (130)
- Simulation and Theory of Electrostatic Interactions in Solution: Computational Chemistry, Biophysics and Aqueous Solutions, Santa Fe, New Mexico, U. S. A., 23-25 June 1999 (1999) (130)
- Layering and position-dependent diffusive dynamics of confined fluids. (2008) (126)
- Static and dynamic correlations in water at hydrophobic interfaces (2008) (124)
- ATP-dependent force generation and membrane scission by ESCRT-III and Vps4 (2018) (120)
- The Molecular Mechanism of Substrate Engagement and Immunosuppressant Inhibition of Calcineurin (2013) (116)
- Coarse master equation from Bayesian analysis of replica molecular dynamics simulations. (2005) (114)
- Peptide loop-closure kinetics from microsecond molecular dynamics simulations in explicit solvent. (2002) (114)
- Structure and Dynamics of Parallel β-Sheets, Hydrophobic Core, and Loops in Alzheimer's Aβ Fibrils (2007) (112)
- Solution structure of the ESCRT-I complex by small-angle X-ray scattering, EPR, and FRET spectroscopy (2011) (110)
- Free energies from dynamic weighted histogram analysis using unbiased Markov state model. (2015) (110)
- Molecular binding: Under water's influence. (2010) (110)
- Dual nature of human ACE2 glycosylation in binding to SARS-CoV-2 spike (2020) (110)
- Stoichiometry of proton translocation by respiratory complex I and its mechanistic implications (2012) (109)
- Curvature induction and membrane remodeling by FAM134B reticulon homology domain assist selective ER-phagy (2019) (105)
- Bound water in the proton translocation mechanism of the haem‐copper oxidases (1997) (104)
- Reconstitution of autophagosome nucleation defines Atg9 vesicles as seeds for membrane formation (2020) (103)
- Peptide folding kinetics from replica exchange molecular dynamics. (2007) (100)
- Identification of a functional water channel in cytochrome P450 enzymes. (1997) (100)
- Redox-induced activation of the proton pump in the respiratory complex I (2015) (99)
- Replica exchange simulations of transient encounter complexes in protein–protein association (2008) (98)
- Prediction of charge-induced molecular alignment of biomolecules dissolved in dilute liquid-crystalline phases. (2004) (98)
- Structural basis of ER-associated protein degradation mediated by the Hrd1 ubiquitin ligase complex (2020) (98)
- Diffusion and electrophoretic mobility of single-stranded RNA from molecular dynamics simulations. (2004) (97)
- Intrinsic map dynamics exploration for uncharted effective free-energy landscapes (2016) (97)
- Helix nucleation kinetics from molecular simulations in explicit solvent (2001) (96)
- Single-file water in nanopores. (2011) (92)
- Drying transition in the hydrophobic gate of the GLIC channel blocks ion conduction. (2012) (90)
- Dynamic cluster formation determines viscosity and diffusion in dense protein solutions (2019) (89)
- Electrostatic Potentials and Free Energies of Solvation of Polar and Charged Molecules (1997) (88)
- Solution structure of the ESCRT-I and -II supercomplex: implications for membrane budding and scission. (2012) (87)
- Ion pair potentials-of-mean-force in water (1994) (85)
- Nuclear pores dilate and constrict in cellulo (2021) (84)
- Pair correlations in an NACL-SPC water model simulations versus extended rism computations (Molecular Physics, Vol 77, Pg 769, 1992). (1992) (83)
- The Vps27/Hse1 complex is a GAT domain-based scaffold for ubiquitin-dependent sorting. (2007) (83)
- Error and efficiency of replica exchange molecular dynamics simulations. (2009) (83)
- Conformational dynamics of cytochrome c: Correlation to hydrogen exchange (1999) (83)
- Cavity Expulsion and Weak Dewetting of Hydrophobic Solutes in Water (1998) (82)
- Thermostat artifacts in replica exchange molecular dynamics simulations. (2009) (81)
- Structural basis of p38α regulation by hematopoietic tyrosine phosphatase. (2011) (80)
- Water, proton, and ion transport: from nanotubes to proteins (2007) (80)
- Electrostatics, hydration, and proton transfer dynamics in the membrane domain of respiratory complex I (2014) (80)
- On artifacts in single-molecule force spectroscopy (2015) (80)
- Artificial reaction coordinate “tunneling” in free‐energy calculations: The catalytic reaction of RNase H (2009) (78)
- Phosphate release coupled to rotary motion of F1-ATPase (2013) (77)
- A Eukaryotic Sensor for Membrane Lipid Saturation. (2016) (77)
- Computer simulation of aqueous Na-Cl electrolytes (1994) (73)
- Optimal Dimensionality Reduction of Multistate Kinetic and Markov-State Models (2014) (73)
- Interfacial thermodynamics of confined water near molecularly rough surfaces. (2010) (72)
- A maximum entropy approach to the study of residue‐specific backbone angle distributions in α‐synuclein, an intrinsically disordered protein (2014) (71)
- The hydration free energy of water (1995) (70)
- Structure and dynamics of a proton shuttle in cytochrome c oxidase (1998) (70)
- Redox-coupled quinone dynamics in the respiratory complex I (2018) (70)
- Diffusion models of protein folding. (2011) (69)
- Model-independent counting of molecules in single-molecule localization microscopy (2016) (67)
- Conformational diffusion and helix formation kinetics. (2000) (67)
- Nonspecific binding limits the number of proteins in a cell and shapes their interaction networks (2010) (67)
- Computational epitope map of SARS-CoV-2 spike protein (2021) (66)
- Structural rigidity of a large cavity-containing protein revealed by high-pressure crystallography. (2007) (65)
- Temperature dependence of the solubility of non-polar gases in water. (1999) (64)
- Accessory NUMM (NDUFS6) subunit harbors a Zn-binding site and is essential for biogenesis of mitochondrial complex I (2015) (63)
- Effect of flexibility on hydrophobic behavior of nanotube water channels. (2005) (63)
- Metastable water clusters in the nonpolar cavities of the thermostable protein tetrabrachion. (2007) (63)
- Kinetics and mechanism of proton transport across membrane nanopores. (2006) (63)
- Membrane perforation by the pore-forming toxin pneumolysin (2019) (62)
- Simulation of FUS Protein Condensates with an Adapted Coarse-Grained Model (2020) (62)
- Regulation of Phosphoribosyl-Linked Serine Ubiquitination by Deubiquitinases DupA and DupB (2019) (61)
- Kinetic gating of the proton pump in cytochrome c oxidase (2009) (61)
- Multi-basin dynamics of a protein in a crystal environment (1997) (61)
- Proton translocation by cytochrome c oxidase can take place without the conserved glutamic acid in subunit I. (2000) (61)
- Computing Equilibrium Free Energies Using Non-Equilibrium Molecular Dynamics (2013) (60)
- Kinetics from Replica Exchange Molecular Dynamics Simulations. (2017) (59)
- Identity of distributions of direct uphill and downhill translocation times for particles traversing membrane channels. (2006) (59)
- Hybrid Structural Model of the Complete Human ESCRT‐0 Complex (2009) (59)
- Bayesian analysis of individual electron microscopy images: towards structures of dynamic and heterogeneous biomolecular assemblies. (2013) (58)
- Pressure calculation in polar and charged systems using Ewald summation: Results for the extended simple point charge model of water (1998) (58)
- Atomic Force Microscopy-Based Force Spectroscopy and Multiparametric Imaging of Biomolecular and Cellular Systems. (2020) (57)
- Crystal structure and mechanistic basis of a functional homolog of the antigen transporter TAP (2017) (57)
- Lekner summation of Coulomb interactions in partially periodic systems (1997) (55)
- Protein side-chain motion and hydration in proton-transfer pathways. Results for cytochrome p450cam. (2003) (54)
- Slow conformational dynamics and unfolding of the calmodulin C-terminal domain. (2007) (54)
- HYDROPHOBIC FORCE FIELD AS A MOLECULAR ALTERNATIVE TO SURFACE-AREA MODELS (1999) (54)
- Efficient Ensemble Refinement by Reweighting (2019) (54)
- Theory and simulation of ion conduction in the pentameric GLIC channel. (2012) (54)
- Kinetic models of redox-coupled proton pumping (2007) (53)
- Atomic-resolution structural information from scattering experiments on macromolecules in solution. (2013) (53)
- Computer simulations do not support Cl-Cl pairing in aqueous NaCl solution (1994) (52)
- Divergent Diffusion Coefficients in Simulations of Fluids and Lipid Membranes. (2016) (52)
- Dynamic Histogram Analysis To Determine Free Energies and Rates from Biased Simulations. (2017) (51)
- Multistate Gaussian Model for Electrostatic Solvation Free Energies (1997) (50)
- Crystal Structure and Allosteric Activation of Protein Kinase C βII (2015) (50)
- Methane Partitioning and Transport in Hydrated Carbon Nanotubes (2004) (50)
- Mechanism and energetics by which glutamic acid 242 prevents leaks in cytochrome c oxidase. (2009) (50)
- Energetics and dynamics of proton transfer reactions along short water wires. (2011) (47)
- Coarse nonlinear dynamics and metastability of filling-emptying transitions: water in carbon nanotubes. (2005) (47)
- Bidirectional Control of Autophagy by BECN1 BARA Domain Dynamics. (2019) (47)
- Calcium Inhibition of Ribonuclease H1 Two-Metal Ion Catalysis (2014) (45)
- Molecule Counts in Localization Microscopy with Organic Fluorophores. (2017) (45)
- Proton-pumping mechanism of cytochrome c oxidase: a kinetic master-equation approach. (2012) (45)
- Helical jackknives control the gates of the double-pore K+ uptake system KtrAB (2017) (45)
- Free energy of hydration of a molecular ionic solute: Tetramethylammonium ion (1998) (45)
- Characterization of a dynamic string method for the construction of transition pathways in molecular reactions. (2012) (45)
- AI-based structure prediction empowers integrative structural analysis of human nuclear pores (2022) (44)
- Transition paths in single-molecule force spectroscopy (2017) (44)
- Elasticity, friction, and pathway of γ-subunit rotation in FoF1-ATP synthase (2015) (44)
- Osh Proteins Control Nanoscale Lipid Organization Necessary for PI(4,5)P2 Synthesis (2019) (44)
- Structural basis for functional interactions in dimers of SLC26 transporters (2019) (43)
- MERA: a webserver for evaluating backbone torsion angle distributions in dynamic and disordered proteins from NMR data (2015) (43)
- Microscopic interpretation of folding ϕ-values using the transition path ensemble (2016) (43)
- Membrane-Elasticity Model of Coatless Vesicle Budding Induced by ESCRT Complexes (2012) (43)
- Correlations and free energies in restricted primitive model descriptions of electrolytes (1993) (43)
- How mitogen-activated protein kinases recognize and phosphorylate their targets: A QM/MM study. (2009) (42)
- Hydrodynamics of Diffusion in Lipid Membrane Simulations. (2018) (42)
- Entropy of single-file water in (6,6) carbon nanotubes. (2012) (42)
- The molecular recognition of phosphatidic acid by an amphipathic helix in Opi1 (2018) (42)
- Hydration of nucleic acid fragments: comparison of theory and experiment for high-resolution crystal structures of RNA, DNA, and DNA-drug complexes. (1995) (41)
- The numerical accuracy of truncated Ewald sums for periodic systems with long-range Coulomb interactions (1995) (41)
- Antigenic Peptide Recognition on the Human ABC Transporter TAP Resolved by DNP-Enhanced Solid-State NMR Spectroscopy. (2016) (41)
- Molecular dynamics simulations of Alzheimer's beta-amyloid protofilaments. (2005) (41)
- Molecular Dynamics Simulations of Alzheimer ’ s b-Amyloid Protofilaments (2005) (41)
- Integrated Functions of Membrane Property Sensors and a Hidden Side of the Unfolded Protein Response. (2018) (40)
- Protein folding kinetics under force from molecular simulation. (2008) (40)
- Reply to Comment on “Electrostatic Potentials and Free Energies of Solvation of Polar and Charged Molecules” (1998) (40)
- Position-Dependent Diffusion Tensors in Anisotropic Media from Simulation: Oxygen Transport in and through Membranes. (2017) (40)
- Water in the polar and nonpolar cavities of the protein interleukin-1β. (2010) (39)
- TBK1‐mediated phosphorylation of LC3C and GABARAP‐L2 controls autophagosome shedding by ATG4 protease (2019) (38)
- Modeling Hsp70/Hsp40 interaction by multi-scale molecular simulations and coevolutionary sequence analysis (2017) (37)
- An extended RISM study of simple electrolytes: pair correlations in a NaCl-SPC water model (1992) (37)
- Hierarchical Ensembles of Intrinsically Disordered Proteins at Atomic Resolution in Molecular Dynamics Simulations. (2019) (36)
- Gating transition of pentameric ligand-gated ion channels. (2009) (36)
- A Eukaryotic Sensor for Membrane Lipid Saturation (2017) (36)
- Artificial Intelligence Assists Discovery of Reaction Coordinates and Mechanisms from Molecular Dynamics Simulations (2019) (35)
- Resting and active states of the ERK2:HePTP complex. (2011) (35)
- Atomistic insights into rhodopsin activation from a dynamic model. (2008) (34)
- Energetics of direct and water-mediated proton-coupled electron transfer. (2011) (34)
- Comment on "Force-Clamp Spectroscopy Monitors the Folding Trajectory of a Single Protein" (2005) (34)
- Error and efficiency of simulated tempering simulations. (2010) (34)
- Formation and Stability of Lipid Membrane Nanotubes. (2017) (34)
- A statistical mechanical description of biomolecular hydration. (1997) (34)
- Dynamics of the glutamic acid 242 side chain in cytochrome c oxidase. (2007) (34)
- Theoretical study of the mechanism of the hydride transfer between ferredoxin-NADP+ reductase and NADP+: the role of Tyr303. (2012) (34)
- Solution structure of the Atg1 complex: implications for the architecture of the phagophore assembly site. (2015) (33)
- The localization of chromosome domains in human interphase nuclei. Three‐dimensional distance determinations of fluorescence in situ hybridization signals from confocal laser scanning microscopy (1993) (33)
- Transition path sampling of rare events by shooting from the top. (2017) (32)
- Disease-linked TDP-43 hyperphosphorylation suppresses TDP-43 condensation and aggregation (2021) (32)
- Inward-facing conformation of a multidrug resistance MATE family transporter (2019) (32)
- Substrate-induced conformational changes and dynamics of UDP-N-acetylgalactosamine:polypeptide N-acetylgalactosaminyltransferase-2. (2007) (30)
- Molecular dynamics simulations of carbon nanotube porins in lipid bilayers. (2018) (30)
- Optimal estimates of self-diffusion coefficients from molecular dynamics simulations. (2020) (30)
- Interface-Resolved Network of Protein-Protein Interactions (2013) (30)
- F1-ATPase conformational cycle from simultaneous single-molecule FRET and rotation measurements (2016) (29)
- Retinal isomerization and water-pore formation in channelrhodopsin-2 (2018) (29)
- Electrostatic potential of a homogeneously charged square and cube in two and three dimensions (1995) (29)
- Resolving the Conformational Dynamics of DNA with Ångstrom Resolution by Pulsed Electron-Electron Double Resonance and Molecular Dynamics. (2017) (29)
- Famotidine inhibits toll-like receptor 3-mediated inflammatory signaling in SARS-CoV-2 infection (2021) (29)
- Molecular Realism in Default Models for Information Theories of Hydrophobic Effects (1999) (28)
- Free-Propagator Reweighting Integrator for Single-Particle Dynamics in Reaction-Diffusion Models of Heterogeneous Protein-Protein Interaction Systems (2014) (28)
- Scaffolding the cup-shaped double membrane in autophagy (2017) (28)
- Differential inhibition of HIV-1 and SIV envelope-mediated cell fusion by C34 peptides derived from the C-terminal heptad repeat of gp41 from diverse strains of HIV-1, HIV-2, and SIV. (2005) (28)
- Federating Structural Models and Data: Outcomes from A Workshop on Archiving Integrative Structures. (2019) (27)
- Carbon Nanotubes Mediate Fusion of Lipid Vesicles. (2017) (27)
- Nobel 2013 Chemistry: Methods for computational chemistry (2013) (27)
- Hydration of an α‐Helical peptide: comparison of theory and molecular dynamics simulation (1997) (26)
- Role of FAM134 paralogues in endoplasmic reticulum remodeling, ER‐phagy, and Collagen quality control (2021) (26)
- Rotational Diffusion Depends on Box Size in Molecular Dynamics Simulations. (2018) (26)
- Hydrophobic interactions: conformational equilibria and the association of non-polar molecules in water (1996) (26)
- Coarse Master Equations for Binding Kinetics of Amyloid Peptide Dimers. (2016) (25)
- Conformational equilibria of alkanes in aqueous solution: relationship to water structure near hydrophobic solutes. (1999) (25)
- Effects of electric fields on proton transport through water chains. (2006) (25)
- Fast-growth Thermodynamic Integration∶ Results for Sodium Ion Hydration (2002) (25)
- Mechanism of the electroneutral sodium/proton antiporter PaNhaP from transition-path shooting (2019) (25)
- Variational Identification of Markovian Transition States (2017) (24)
- Prevention of leak in the proton pump of cytochrome c oxidase. (2008) (24)
- Hydrophobicity maps of the N-peptide coiled coil of HIV-1 gp41. (2002) (24)
- A one-dimensional dipole lattice model for water in narrow nanopores. (2009) (24)
- Systematic errors in diffusion coefficients from long-time molecular dynamics simulations at constant pressure. (2020) (23)
- Contradictions in X-ray structures of intermediates in the photocycle of photoactive yellow protein. (2014) (23)
- Structure and dynamics of parallel beta-sheets, hydrophobic core, and loops in Alzheimer's A beta fibrils. (2007) (23)
- Structure of Outward-Facing PglK and Molecular Dynamics of Lipid-Linked Oligosaccharide Recognition and Translocation. (2019) (22)
- Kinetic Ductility and Force-Spike Resistance of Proteins from Single-Molecule Force Spectroscopy. (2016) (22)
- Compaction of RNA Duplexes in the Cell** (2020) (21)
- Boundary integral methods for the Poisson equation of continuum dielectric solvation models (1995) (21)
- Binding of SARS-CoV-2 Fusion Peptide to Host Endosome and Plasma Membrane (2021) (21)
- TBK1-mediated phosphorylation of LC3C and GABARAP-L2 controls autophagosome shedding by ATG4 protease (2019) (21)
- Global Structure of the Intrinsically Disordered Protein Tau Emerges from Its Local Structure (2021) (21)
- An extension of the rigorous base-unit oriented description of nucleic acid structures. (1994) (21)
- p63 uses a switch-like mechanism to set the threshold for induction of apoptosis (2020) (21)
- Dynamics of Cholesterol Exchange in the Oxysterol Binding Protein Family (2008) (21)
- Diffusion maps, clustering and fuzzy Markov modeling in peptide folding transitions. (2014) (21)
- Structural basis of the molecular ruler mechanism of a bacterial glycosyltransferase (2018) (21)
- Molecular simulation and modeling of complex I. (2016) (21)
- Preface: special topic on biological water. (2014) (21)
- Map of SARS-CoV-2 spike epitopes not shielded by glycans (2020) (20)
- Cryo-EM structure of the bifunctional secretin complex of Thermus thermophilus (2017) (20)
- Cardiolipin puts the seal on ATP synthase (2016) (20)
- Membrane Permeability: Characteristic Times and Lengths for Oxygen and a Simulation-Based Test of the Inhomogeneous Solubility-Diffusion Model. (2018) (19)
- The cryo-EM structure of the bd oxidase from M. tuberculosis reveals a unique structural framework and enables rational drug design to combat TB (2021) (19)
- Assembly of the MHC I peptide-loading complex determined by a conserved ionic lock-switch (2015) (19)
- Quantifying Protein–Protein Interactions in Molecular Simulations (2019) (19)
- BioEM: GPU-accelerated computing of Bayesian inference of electron microscopy images (2016) (19)
- Precision DEER Distances from Spin-Label Ensemble Refinement. (2018) (19)
- Pair diffusion, hydrodynamic interactions, and available volume in dense fluids. (2012) (19)
- Potassium ions line up (2014) (19)
- Linear energy relationships in ground state proton transfer and excited state proton-coupled electron transfer. (2015) (19)
- Disease‐linked TDP‐43 hyperphosphorylation suppresses TDP‐43 condensation and aggregation (2022) (19)
- The Hydration Number of Li+ in Liquid Water (2000) (18)
- Inhibition of papain-like protease PLpro blocks SARS-CoV-2 spread and promotes anti-viral immunity (2020) (18)
- Fully Anisotropic Rotational Diffusion Tensor from Molecular Dynamics Simulations. (2018) (17)
- Peptide dimerization-dissociation rates from replica exchange molecular dynamics. (2017) (17)
- Papain-like protease regulates SARS-CoV-2 viral spread and innate immunity (2020) (17)
- Molecular Theory of Hydrophobic Effects (1997) (17)
- Free Energy Surfaces from Single‐Molecule Force Spectroscopy (2005) (16)
- High-resolution EPR distance measurements on RNA and DNA with the non-covalent Ǵ spin label (2019) (16)
- Structural biology in the fight against COVID-19 (2021) (16)
- Artificial intelligence reveals nuclear pore complexity (2021) (16)
- Desmosome architecture derived from molecular dynamics simulations and cryo-electron tomography (2020) (16)
- Exploration of effective potential landscapes using coarse reverse integration. (2008) (15)
- Likelihood-based structural analysis of electron microscopy images. (2018) (15)
- Erratum: Proton Transport through Water-Filled Carbon Nanotubes [Phys. Rev. Lett. 90 , 105902 (2003)] (2003) (15)
- Membrane fusion and drug delivery with carbon nanotube porins (2021) (15)
- Dispersion Correction Alleviates Dye Stacking of Single-Stranded DNA and RNA in Simulations of Single-Molecule Fluorescence Experiments. (2018) (15)
- In situ structural analysis reveals membrane shape transitions during autophagosome formation (2022) (15)
- Finite-Size-Corrected Rotational Diffusion Coefficients of Membrane Proteins and Carbon Nanotubes from Molecular Dynamics Simulations (2019) (14)
- Unfolding the Secrets of Calmodulin (2009) (14)
- Inferring Structural Ensembles of Flexible and Dynamic Macromolecules Using Bayesian, Maximum Entropy, and Minimal-Ensemble Refinement Methods. (2019) (14)
- Nonequilibrium Methods for Equilibrium Free Energy Calculations (2007) (13)
- Optimal Destabilization of DNA Double Strands by Single-Nucleobase Caging. (2018) (13)
- Structure of a fully assembled tumor-specific T cell receptor ligated by pMHC (2022) (12)
- Bacterial OTU deubiquitinases regulate substrate ubiquitination upon Legionella infection (2020) (12)
- Fragment Binding Pose Predictions Using Unbiased Simulations and Markov-State-Models. (2019) (12)
- Classical Molecular Dynamics with Mobile Protons. (2017) (12)
- Analysis and engineering of substrate shuttling by the acyl carrier protein (ACP) in fatty acid synthases (FASs). (2018) (11)
- GlycoSHIELD: a versatile pipeline to assess glycan impact on protein structures (2021) (11)
- Co-translational assembly orchestrates competing biogenesis pathways (2022) (11)
- Structure and Dynamics of Parallel b -Sheets, Hydrophobic Core, and Loops in Alzheimer’s A b Fibrils (2007) (10)
- Lubrication by molecularly thin water films confined between nanostructured membranes (2010) (10)
- Equivalence of M- and P-Summation in Calculations of Ionic Solvation Free Energies. (2017) (10)
- Dynamics of the Orientational Factor in Fluorescence Resonance Energy Transfer. (2017) (10)
- Phospholipid Scramblases Remodel the Shape of Asymmetric Membranes. (2019) (10)
- Hierarchical Ensembles of Intrinsically Disordered Proteins at Atomic Resolution in Molecular Dynamics Simulations (2019) (10)
- Bayesian inference of rotor ring stoichiometry from electron microscopy images of archaeal ATP synthase. (2018) (9)
- Water pulls the strings in hydrophobic polymer collapse (2007) (9)
- Biological proton pumping in an oscillating electric field. (2009) (9)
- Structural basis of polyamine transport by human ATP13A2 (PARK9). (2021) (9)
- Molecular free energy profiles from force spectroscopy experiments by inversion of observed committors. (2019) (9)
- Theories of hydrophobic effects and the description of free volume in complex liquids (1998) (9)
- The localization of chromosome domains in human interphase nuclei. Semi‐automated two‐dimensional image acquisition and analysis of fluorescence in situ hybridization signals (1993) (9)
- Treatment of electrostatic interactions in computer simulations and calculation of thermodynamic properties such as free energies and pressures (1999) (9)
- Microscopic density fluctuations and solvation in polymeric fluids (2000) (8)
- Evolutionary pressure on the topology of protein interface interaction networks. (2013) (8)
- FAM134B-RHD Protein Clustering Drives Spontaneous Budding of Asymmetric Membranes (2021) (8)
- Catching a protein in the act (2010) (8)
- Solution Structure and Conformational Flexibility of a Polyketide Synthase Module (2021) (8)
- Systematic evaluation of CS‐Rosetta for membrane protein structure prediction with sparse NOE restraints (2017) (8)
- Kinetics of Atg2-mediated lipid transfer from the ER can account for phagophore expansion (2020) (8)
- Identification and Analysis of Transition and Metastable Markov States (2016) (7)
- Sublytic gasdermin-D pores captured in atomistic molecular simulations (2022) (7)
- Autonomous artificial intelligence discovers mechanisms of molecular self-organization in virtual experiments (2021) (7)
- Analysis and Engineering of Substrate Shuttling by the Acyl Carrier Protein (ACP) in Fatty Acid Synthases (FASs) (2018) (7)
- Structural and functional insights into the interaction and targeting hub TMD0 of the polypeptide transporter TAPL (2018) (7)
- Biomimetic water channels: general discussion. (2018) (7)
- Molecule counts in complex oligomers with single-molecule localization microscopy (2019) (7)
- Viewpoint: Transition Path Times for DNA and RNA Folding from Force Spectroscopy (2012) (6)
- Empirical optimization of molecular simulation force fields by Bayesian inference (2021) (6)
- Theoretical description of biomolecular hydration. Application to A-DNA. (1994) (6)
- Membrane curvature sensing and stabilization by the autophagic LC3 lipidation machinery (2022) (6)
- Structural basis of polyamine transport by human ATP13A2 (PARK9) (2021) (6)
- Dynamic proton transfer pathways in proteins: role of sidechain conformational fluctuations (2003) (6)
- Modeling Hsp70/Hsp40 interaction by multi-scale molecular simulations and co-evolutionary sequence analysis (2016) (6)
- MDBenchmark: A toolkit to optimize the performance of molecular dynamics simulations. (2020) (6)
- Transition Rates and Efficiency of Collective Variables from Time-Dependent Biased Simulations. (2022) (5)
- Ion Binding and Selectivity of the Na+/H+ Antiporter MjNhaP1 from Experiment and Simulation (2019) (5)
- Kinase domain autophosphorylation rewires the activity and substrate specificity of CK1 enzymes. (2022) (5)
- Evidence for a trap-and-flip mechanism in a proton-dependent lipid transporter (2021) (5)
- Maximum likelihood estimates of diffusion coefficients from single-particle tracking experiments. (2020) (4)
- Cryo‐EM structures of pentameric autoinducer‐2 exporter from Escherichia coli reveal its transport mechanism (2022) (4)
- Multifaceted Water Dynamics in Spherical Nanocages (2019) (4)
- Water Conduction Through Carbon Nanotubes (2002) (4)
- Coarse Nonlinear Dynamics of Filling-Emptying Transitions: Water in Carbon Nanotubes (2005) (4)
- Thermodynamics and Kinetics from Single-Molecule Force Spectroscopy (2008) (3)
- Structure and function of natural proteins for water transport: general discussion. (2018) (3)
- Deciphering the conformations and dynamics of FG-nucleoporins in situ (2022) (3)
- Equationfree Modeling For Complex Systems (2005) (3)
- A new approach to calculate the hydration of DNA molecules (1993) (3)
- Hydration of biological macromolecules: from small solutes to proteins and nucleic acids (1996) (3)
- X-Ray Structure of a Calcium Activated TMEM16 Lipid Scramblase (2015) (3)
- Dynamic Histogram Analysis to Determine Free Energies and Rates from Biased Simulations (2018) (3)
- Small ionic radii limit time step in Martini 3 molecular dynamics simulations. (2022) (3)
- Potential-of-mean-force description of ionic interactions and structural hydration in biomolecular systems (1995) (3)
- Molecular counting of membrane receptor subunits with single-molecule localization microscopy (2017) (3)
- Calculated and measured flow conductance for butterfly valves (1990) (2)
- Validation tests for cryo-EM maps using an independent particle set (2019) (2)
- Transition rates, survival probabilities, and quality of bias from time-dependent biased simulations (2021) (2)
- Structural ensembles of disordered proteins from hierarchical chain growth and simulation. (2022) (2)
- Force-tuned avidity of spike variant-ACE2 interactions viewed on the single-molecule level (2022) (2)
- The structure of the Aquifex aeolicus MATE family multidrug resistance transporter and sequence comparisons suggest the existence of a new subfamily (2021) (2)
- Three‐dimensional model of a selective theophylline‐binding RNA molecule (1995) (2)
- Novel class of OTU deubiquitinases regulate substrate ubiquitination upon Legionella infection (2020) (2)
- Cysteine cross-linking in native membranes establishes the transmembrane architecture of Ire1 (2021) (2)
- Applications to water transport systems: general discussion. (2018) (2)
- Cryo-EM structures of pentameric autoinducer-2 exporter from E. coli reveal its transport mechanism (2021) (1)
- THE FOLDING AND BINDING PATHWAY OF THE TRANSCRIPTION FACTOR CREB TO CBP (2007) (1)
- Biological physics : third international symposium, Santa Fe, NM September 1998 (1999) (1)
- Helical region near poly-Q tract in prion-like domain of Arabidopsis ELF3 plays role in temperature-sensing mechanism (2022) (1)
- Theoretical description of protein hydration: a potential of mean force calculation based on 2 and 3 particle correlation functions (1994) (1)
- Optimal Bond Constraint Topology for Molecular Dynamics Simulations of Cholesterol (2023) (1)
- Mechanistic Dissection of Sphingolipid Binding to the ER Stress Transducer ATF6 - Insights into the Coordination of Sphingolipid and Protein Production (2020) (1)
- Co-translational assembly counteracts promiscuous interactions (2021) (1)
- transitions explored by mixed elastic network models y (2007) (1)
- ESCRT membrane scission revealed by optical tweezers. (2018) (1)
- Simulations of nanoscale flow: water, proton, and biopolymer transport through carbon nanotube membranes (2005) (1)
- Random Walk Model for Single‐File Transport of Water Molecules through Carbon Nanotubes (2003) (1)
- Author response: Bacterial OTU deubiquitinases regulate substrate ubiquitination upon Legionella infection (2020) (1)
- Author response: Bacterial OTU deubiquitinases regulate substrate ubiquitination upon Legionella infection (2020) (1)
- The Topology of Interface Interaction Networks Reflects on Protein-Protein Interaction Specificity and Regulation (2013) (1)
- Reversible bond kinetics from single-molecule force spectroscopy experiments close to equilibrium (2022) (1)
- Hydration of the tetramethylammonium ion: From water structure to the free energy of hydration (1999) (1)
- Author response: Modeling Hsp70/Hsp40 interaction by multi-scale molecular simulations and coevolutionary sequence analysis (2017) (1)
- The modelling and enhancement of water hydrodynamics: general discussion. (2018) (1)
- Cell-free biosynthesis combined with deep learning accelerates de novo-development of antimicrobial peptides (2022) (1)
- Autophagy: Solution Structure of the Atg17-Atg29-Atg31-Atg1-Atg13 Complex (2015) (1)
- Reply to Desikan et al.: Micelle formation among various mechanisms of toxin pore formation (2020) (1)
- p63 sets the threshold for induction of apoptosis using a kinetically encoded ‘doorbell-like’ mechanism (2019) (1)
- Crosstalk between regulatory elements in the disordered TRPV4 N-terminus modulates lipid-dependent channel activity (2022) (1)
- Interpreting Phi-Values using Protein Folding Transition Paths (2017) (1)
- Binding of SARS-CoV-2 fusion peptide to host membranes (2021) (1)
- Crystal Crystal structure and mechanistic basis of a functional homolog of the antigen transporter TAP - eScholarship (2017) (0)
- Short Communication Electrostatic potential of a homogeneously charged square and cube in two and three dimensions (1996) (0)
- Computer simulation of protein solvation, hydrophobic mapping, and the oxygen effect in radiation biology (1997) (0)
- Integrative Structural Analysis of Human Nuclear Pore Complex (2022) (0)
- A tribute to Attila Szabo. (2008) (0)
- Exploring an Intermediate State of F1-ATPase by Atomistic Molecular Dynamics Simulation (2013) (0)
- Dissecting the conformational complexity and flipping mechanism of a prokaryotic heme transporter (2022) (0)
- Selective killing of the human gastric pathogen Helicobacter pylori by mitochondrial respiratory complex I inhibitors. (2023) (0)
- Antibody accessibility determines location of spike surface mutations in SARS-CoV-2 variants (2023) (0)
- Maximum likelihood estimates of diffusion coefficients from single-molecule tracking experiments (2020) (0)
- Theoretical studies of the interaction of water with DNA oligomers and proteins (1996) (0)
- SAXS/WAXS Intensities and Pair-Distance Distribution Functions from Molecular Dynamics Simulations (2013) (0)
- Macroautophagy: solution structure of the Atg1 complex (2015) (0)
- Water Mediated Membrane Transport: From Channels to Proton Pumps (2013) (0)
- Kinetic Models of Enhanced Sampling Methods (2011) (0)
- Systematic Evaluation of the CS-Rosetta De Novo Structure Prediction Method for Membrane Proteins (2016) (0)
- Author response: Helical jackknives control the gates of the double-pore K+ uptake system KtrAB (2017) (0)
- Kinase Domain Autophosphorylation Rewires the Activity and Substrate Specificity of CK1 Enzymes (2022) (0)
- Transferability of Coarse Grained Models : a Challenge for Simulation of Phase Transitions or Phase Separation Processes (2012) (0)
- Allosteric Control of the K+ Uptake System KtrAB (2018) (0)
- VCU Scholars Compass VCU Scholars Compass Multifaceted Water Dynamics in Spherical Nanocages Multifaceted Water Dynamics in Spherical Nanocages (2022) (0)
- Under-water exercise tank. (1954) (0)
- Powerful Statistical Tests for Ordered Data (2020) (0)
- TriMem: A Parallelized Hybrid Monte Carlo Software for Efficient Simulations of Lipid Membranes (2022) (0)
- Unwrapping NPT simulations to calculate diffusion coefficients (2023) (0)
- Hydrophobic & hydrophilic: Theoretical models of solvation for molecular biophysics (1996) (0)
- Predicting B-DNA structure from sequence (1995) (0)
- Diffusion of Proteins and Lipids in Membranes Corrected for Finite-Size Effects (2018) (0)
- Machine-guided path sampling to discover mechanisms of molecular self-organization (2023) (0)
- Assembling the Pieces of Protein Puzzles (2015) (0)
- Structural basis of the molecular ruler mechanism of a bacterial glycosyltransferase (2018) (0)
- Structural basis for functional interactions in dimers of SLC26 transporters (2019) (0)
- Heterodimeric ABC exporter TmrAB in inward-facing wide conformation (2019) (0)
- Quantitative single-molecule localization microscopy reports on protein numbers in signaling protein complexes (2020) (0)
- E cient Ensemble Refinement by Reweighting (2018) (0)
- Structure of a glycosyltransferase (2018) (0)
- Simple and Efficient Calculation of Scattering Intensities of Proteins in Solution from Atomistically Detailed Structures (2012) (0)
- Multiscale analysis of functional motions in F1-ATPase: From Pi release to elasticity and friction of γ-subunit rotation (2014) (0)
- ultrafast dynamics in myoglobin: 150 ps time delay (2015) (0)
- Molecular simulation of protein dynamics and function (2014) (0)
- Oxygen diffusion water, alkanes, and lipid bilayers (2013) (0)
- Dealing with Dynamics and Disorder by Combining Simulation and Experiment (2019) (0)
- Human ESCRT-0 Core Complex (2009) (0)
- Rebinding kinetics from single-molecule force spectroscopy experiments close to equilibrium (2022) (0)
- Diffusion of a protein in configuration space (1995) (0)
- Oxygen Reduction and Proton Translocation by the Heme-Copper Oxidases (1999) (0)
- Variational Identification of Markovian Transition States SUPPLEMENTARY INFORMATION (2017) (0)
- Water Gated Transitions in Proton Pumping of Respiratory Complex I (2014) (0)
- Visualizing the disordered nuclear transport machinery in situ (2023) (0)
- Conformation space of a heterodimeric ABC exporter under turnover conditions (2019) (0)
- Ultrafast dynamics in myoglobin: dark-state, CO-ligated structure (2015) (0)
- Molecular mechanisms of inorganic-phosphate release from the core and barbed end of actin filaments (2023) (0)
- Simulation of Nucleic Acid Transport Through Carbon Nanotube Membranes (2005) (0)
- Proton transfer pathways in the Respiratory Complex I (2014) (0)
- Heterodimeric ABC exporter TmrAB under turnover conditions in asymmetric unlocked return conformation with wider opened intracellular gate (2019) (0)
- Computational studies of ion binding in cation/proton antiporters (2014) (0)
- Mechanism of electroneutral sodium/proton antiporter from transition-path shooting (2019) (0)
- Complexes++: Efficient and versatile coarse-grained simulations of protein complexes and their dense solutions. (2022) (0)
- The evolutionary making of SARS-CoV-2 (2021) (0)
- Transport mechanism of Na+/H+ antiporter from transition-path simulations (2017) (0)
- Cadherin fit into cryo-ET map (2020) (0)
- Nanoporous Membranes of Densely Packed Carbon Nanotubes Formed by Lipid-Mediated Self-Assembly. (2022) (0)
- Ultrafast dynamics in myoglobin: 50 ps time delay (2015) (0)
- The hydration of A-DNA, B-DNA, and Z-DNA studied with the potentials of mean force approach (1994) (0)
- Map of SARS-CoV-2 spike epitopes not shielded byglycans, dataset (2021) (0)
- Carbon nanotubes as molecular conduits: flow of water, protons, ions, and nucleic acids (2005) (0)
- Structure of a glycosyltransferase / state 2 (2018) (0)
- Heterodimeric ABC exporter TmrAB in ATP-bound outward-facing occluded conformation (2019) (0)
- The PB0 Photocycle Intermediate of Photoactive Yellow Protein (2012) (0)
- Artificial Reaction Coordinate “Tunneling” In Free Energy Calculations: Nucleic Acid Cleavage By Ribonuclease-H (2009) (0)
- Heterodimeric ABC exporter TmrAB in inward-facing narrow conformation under turnover conditions (2019) (0)
- A radiation area safety interlock system for a 3-MeV accelerator. (1971) (0)
- Towards a mechanistic model for redox-driven proton pumping in respiratory complex I (2016) (0)
- Heterodimeric ABC exporter TmrAB in ATP-bound outward-facing open conformation (2019) (0)
- NDRATION OF BIOLOGICAL MACROMOLECULES FROM MALL SOLUTES TO PROTEINS AND NUCLEIC ACIDS (2008) (0)
- Proton Pumping and Energy Transduction in Cytochrome C Oxidase (2011) (0)
- Multiscale simulations of ion channel opening and closing provide insights into the molecular mechanisms of gating (2013) (0)
- Ultrafast dynamics in myoglobin: -0.1 ps time delay (2015) (0)
- Artificial intelligence for molecular mechanism discovery. (2023) (0)
- Quantification of membrane receptor complexes with single-molecule localization microscopy (2019) (0)
- Dissecting the conformational complexity and mechanism of a bacterial heme transporter. (2023) (0)
- Simulations of Multi-protein Complexes: Structure, Binding Affinity, and Dynamics of Vps27/hse1 Bound to Membrane-tethered Ubiquitin (2009) (0)
- Title Variational Identification of Markovian Transition States (0)
- Ultrafast dynamics in myoglobin: 10 ps time delay (2015) (0)
- Author response: Cryo-EM structure of the bifunctional secretin complex of Thermus thermophilus (2017) (0)
- Refining Protein Interaction Networks with Protein Structure and Kinetic Modeling (2012) (0)
- Mechanism of the electroneutral sodium/proton antiporter PaNhaP from transition-path shooting (2019) (0)
- Macroautophagy: solution structure of the Atg1 complex - eScholarship (2015) (0)
- From integrative atomic-resolution ensembles of disordered proteins to simulations of phase-separated condensates. (2023) (0)
- 889 IOA-244 is a non-ATP-competitive, highly selective, tolerable phosphoinositide 3-kinase delta inhibitor that directly targets solid tumours and breaks immune tolerance (2022) (0)
- Heterodimeric ABC exporter TmrAB in inward-facing wide conformation under turnover conditions (2019) (0)
- Heterodimeric ABC exporter TmrAB under turnover conditions in asymmetric unlocked return conformation (2019) (0)
- Optimal estimates of diffusion coefficients from molecular dynamics simulations (2020) (0)
- Curvature induction and membrane remodeling by FAM134B reticulon homology domain assist selective ER-phagy (2019) (0)
- Structure and assembly of a bacterial gasdermin pore (2023) (0)
- 1P147 Multiscale analysis of functional motions in F1-ATPase : From Pi release to elasticity and friction of γ-subunit rotation(11. Molecular motor,Poster,The 52nd Annual Meeting of the Biophysical Society of Japan(BSJ2014)) (2014) (0)
- Heterodimeric ABC exporter TmrAB in vanadate trapped outward-facing occluded conformation (2019) (0)
- Ewald summation of electrostatic interactions of systems with finite extent in two of three (2017) (0)
- Computational investigation of the redox-coupled proton pumping in respiratory complex I (2016) (0)
- Supplementary Information: Computational epitope map of SARS-CoV-2 spike protein (2021) (0)
- S13.27 Fidelity of water-gated mechanism in cytochrome c oxidase (2008) (0)
- A machine learning algorithm for studying how molecules self-assemble and function (2023) (0)
- Heterogeneous Protein-Protein Interaction Systems Modeled using a New Integrator for Single-Particle Reaction Diffusion (2014) (0)
- Regulation of lipid saturation without sensing membrane fluidity (2020) (0)
- Conformational Transition from Catalytic Dwell to ATP-Binding Dwell in F1-ATPase (2017) (0)
- Systematic cysteine-crosslinking in native membranes establishes the transmembrane architecture in Ire1 clusters (2019) (0)
- Protein folding and dynamics from simulations of coarse protein models. (2007) (0)
- Structural and functional insights into the interaction and targeting hub TMD0 of the polypeptide transporter TAPL (2018) (0)
- MERA: a webserver for evaluating backbone torsion angle distributions in dynamic and disordered proteins from NMR data (2015) (0)
- A Heuristic Molecular Model of Hydrophobic Interactions (1995) (0)
- A Biophysical Basis for Chronic Diseases Associated with ER Stress - Ire1 is Activated by Lipid Bilayer Stress and Perpetuates the Unfolded Protein Response (2020) (0)
- Heterodimeric ABC exporter TmrAB in vanadate trapped outward-facing open conformation (2019) (0)
- Potential-of-Mean-Force Description of Ionic Interactions and Structural Hydratrion in Biomolecular Systems (2008) (0)
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What Schools Are Affiliated With Gerhard Hummer?
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