Publikationen von Gerhard Hummer
Alle Typen
Zeitschriftenartikel (358)
101.
Zeitschriftenartikel
10, 1742 (2019)
Mechanism of the electroneutral sodium/proton antiporter PaNhaP from transition-path shooting. Nature Communications 102.
Zeitschriftenartikel
27 (4), S. 669 - 678.e5 (2019)
Structure of Outward-Facing PglK and Molecular Dynamics of Lipid-Linked Oligosaccharide Recognition and Translocation. Structure 103.
Zeitschriftenartikel
123 (10), S. 5989 - 5998 (2019)
Multifaceted Water Dynamics in Spherical Nanocages. The Journal of Physical Chemistry C 104.
Zeitschriftenartikel
73 (2), S. 339 - 353 (2019)
Bidirectional Control of Autophagy by BECN1 BARA Domain Dynamics. Molecular Cell 105.
Zeitschriftenartikel
10884, 108840T (2019)
Quantification of membrane receptor complexes with single-molecule localization microscopy. Proceedings of SPIE 106.
Zeitschriftenartikel
362 (6421), S. 1423 - 1428 (2018)
ATP-dependent force generation and membrane scission by ESCRT-III and Vps4. Science 107.
Zeitschriftenartikel
122 (49), S. 11626 - 11639 (2018)
Dispersion Correction Alleviates Dye Stacking of Single-Stranded DNA and RNA in Simulations of Single-Molecule Fluorescence Experiments. The Journal of Physical Chemistry B 108.
Zeitschriftenartikel
24 (66), S. 17568 - 17576 (2018)
Optimal Destabilization of DNA Double Strands by Single-Nucleobase Caging. Chemistry – A European Journal 109.
Zeitschriftenartikel
8, 15662 (2018)
Structural and functional insights into the interaction and targeting hub TMD0 of the polypeptide transporter TAPL. Scientific Reports 110.
Zeitschriftenartikel
54 (82), S. 11606 - 11609 (2018)
Analysis and engineering of substrate shuttling by the acyl carrier protein (ACP) in fatty acid synthases (FASs). Chemical Communications 111.
Zeitschriftenartikel
9 (18), S. 5748 - 5752 (2018)
Precision DEER Distances from Spin-Label Ensemble Refinement. The Journal of Physical Chemistry Letters 112.
Zeitschriftenartikel
67 (5), S. 266 - 273 (2018)
Bayesian inference of rotor ring stoichiometry from electron microscopy images of archaeal ATP synthase. Microscopy 113.
Zeitschriftenartikel
115 (36), S. E8413 - E8420 (2018)
Redox-coupled quinone dynamics in the respiratory complex I. Proceedings of the National Academy of Sciences of the United States of America 114.
Zeitschriftenartikel
217 (9), S. 3109 - 3126 (2018)
The molecular recognition of phosphatidic acid by an amphipathic helix in Opi1. The Journal of Cell Biology: JCB 115.
Zeitschriftenartikel
209, S. 341 - 358 (2018)
Molecular dynamics simulations of carbon nanotube porins in lipid bilayers. Faraday Discussions 116.
Zeitschriftenartikel
71 (3), S. 458 - 467 (2018)
Integrated Functions of Membrane Property Sensors and a Hidden Side of the Unfolded Protein Response. Molecular Cell 117.
Zeitschriftenartikel
120 (26), 268104 (2018)
Hydrodynamics of Diffusion in Lipid Membrane Simulations. Physical Review Letters 118.
Zeitschriftenartikel
14 (7), S. 3811 - 3824 (2018)
Membrane Permeability: Characteristic Times and Lengths for Oxygen and a Simulation-Based Test of the Inhomogeneous Solubility-Diffusion Model. Journal of Chemical Theory and Computation 119.
Zeitschriftenartikel
9 (11), S. 2874 - 2878 (2018)
Rotational Diffusion Depends on Box Size in Molecular Dynamics Simulations. The Journal of Physical Chemistry Letters 120.
Zeitschriftenartikel
122 (21), S. 5630 - 5639 (2018)
Fully Anisotropic Rotational Diffusion Tensor from Molecular Dynamics Simulations. The Journal of Physical Chemistry B 121.
Zeitschriftenartikel
115 (14), S. 3557 - 3562 (2018)
Retinal isomerization and water-pore formation in channelrhodopsin-2. Proceedings of the National Academy of Sciences of the United States of America 122.
Zeitschriftenartikel
49, S. 162 - 168 (2018)
Likelihood-based structural analysis of electron microscopy images. Current Opinion in Structural Biology 123.
Zeitschriftenartikel
148 (12), 123309 (2018)
Transition paths in single-molecule force spectroscopy. The Journal of Chemical Physics 124.
Zeitschriftenartikel
9, 445 (2018)
Structural basis of the molecular ruler mechanism of a bacterial glycosyltransferase. Nature Communications 125.
Zeitschriftenartikel
6, 10.7554/eLife.30483 (2017)
Cryo-EM structure of the bifunctional secretin complex of Thermus thermophilus. eLife 126.
Zeitschriftenartikel
13 (12), S. 6328 - 6342 (2017)
Dynamic Histogram Analysis To Determine Free Energies and Rates from Biased Simulations. Journal of Chemical Theory and Computation 127.
Zeitschriftenartikel
57 (11), S. 2833 - 2845 (2017)
Classical Molecular Dynamics with Mobile Protons. Journal of Chemical Information and Modeling 128.
Zeitschriftenartikel
13 (10), e1005817 (2017)
Scaffolding the cup-shaped double membrane in autophagy. PLoS Computational Biology 129.
Zeitschriftenartikel
147 (15), 152716 (2017)
Transition path sampling of rare events by shooting from the top. The Journal of Chemical Physics 130.
Zeitschriftenartikel
147 (15), 152725 (2017)
Peptide dimerization-dissociation rates from replica exchange molecular dynamics. The Journal of Chemical Physics 131.
Zeitschriftenartikel
7 (3), 031060 (2017)
Variational Identification of Markovian Transition States. Physical Review X 132.
Zeitschriftenartikel
11 (9), S. 9558 - 9565 (2017)
Formation and Stability of Lipid Membrane Nanotubes. ACS Nano 133.
Zeitschriftenartikel
112 (37), S. 11571 - 11576 (2017)
Redox-induced activation of the proton pump in the respiratory complex I. Proceedings of the National Academy of Sciences of the United States of America 134.
Zeitschriftenartikel
139 (34), S. 11674 - 11677 (2017)
Resolving the Conformational Dynamics of DNA with Ångstrom Resolution by Pulsed Electron–Electron Double Resonance and Molecular Dynamics. Journal of the American Chemical Society 135.
Zeitschriftenartikel
67 (4), S. 673 - 684 (2017)
Activation of the Unfolded Protein Response by Lipid Bilayer Stress. Molecular Cell 136.
Zeitschriftenartikel
13 (8), S. 3927 - 3935 (2017)
Kinetics from Replica Exchange Molecular Dynamics Simulations. Journal of Chemical Theory and Computation 137.
Zeitschriftenartikel
114 (28), S. E5494 - E5503 (2017)
Intrinsic map dynamics exploration for uncharted effective free-energy landscapes. Proceedings of the National Academy of Sciences of the United States of America 138.
Zeitschriftenartikel
6, e23471 (2017)
Modeling Hsp70/Hsp40 interaction by multi-scale molecular simulations and coevolutionary sequence analysis. eLife 139.
Zeitschriftenartikel
13 (6), S. 2962 - 2976 (2017)
Position-Dependent Diffusion Tensors in Anisotropic Media from Simulation: Oxygen Transport in and through Membranes. Journal of Chemical Theory and Computation 140.
Zeitschriftenartikel
85 (5), S. 812 - 826 (2017)
Systematic evaluation of CS‐Rosetta for membrane protein structure prediction with sparse NOE restraints. Proteins: Structure, Function, and Bioinformatics 141.
Zeitschriftenartikel
121 (15), S. 3331 - 3339 (2017)
Dynamics of the Orientational Factor in Fluorescence Resonance Energy Transfer. The Journal of Physical Chemistry B 142.
Zeitschriftenartikel
18 (8), S. 942 - 948 (2017)
Molecule Counts in Localization Microscopy with Organic Fluorophores. ChemPhysChem 143.
Zeitschriftenartikel
11 (2), S. 1273 - 1280 (2017)
Carbon Nanotubes Mediate Fusion of Lipid Vesicles. ACS Nano 144.
Zeitschriftenartikel
121 (7), S. 1525 - 1530 (2017)
Equivalence of M- and P-Summation in Calculations of Ionic Solvation Free Energies. The Journal of Physical Chemistry A 145.
Zeitschriftenartikel
114 (4), S. E438 - E447 (2017)
Crystal structure and mechanistic basis of a functional homolog of the antigen transporter TAP. Proceedings of the National Academy of Sciences of the United States of America 146.
Zeitschriftenartikel
210 (01), S. 163 - 171 (2017)
BioEM: GPU-accelerated computing of Bayesian inference of electron microscopy images. Computer Physics Communications 147.
Zeitschriftenartikel
Helical jackknives control the gates of the double-pore K+ uptake system KtrABs. eLife, S. 1 - 21 (2017)
148.
Zeitschriftenartikel
27 (22), S. 3637 - 3644 (2016)
Model-independent counting of molecules in single-molecule localization microscopy. Molecular Biology of the Cell 149.
Zeitschriftenartikel
138 (42), S. 13967 - 13974 (2016)
Antigenic Peptide Recognition on the Human ABC Transporter TAP Resolved by DNP-Enhanced Solid-State NMR Spectroscopy. Journal of the American Chemical Society 150.
Zeitschriftenartikel
25 (33), S. 8722 - 8732 (2016)
Divergent Diffusion Coefficients in Simulations of Fluids and Lipid Membranes. The Journal of Physical Chemistry B 151.
Zeitschriftenartikel
111 (4), S. 832 - 840 (2016)
Kinetic Ductility and Force-Spike Resistance of Proteins from Single-Molecule Force Spectroscopy. Biophysical Journal 152.
Zeitschriftenartikel
113 (31), S. 8568 - 8570 (2016)
Cardiolipin puts the seal on ATP synthase. Proceedings of the National Academy of Sciences of the United States of America 153.
Zeitschriftenartikel
7 (14), S. 2676 - 2682 (2016)
Coarse Master Equations for Binding Kinetics of Amyloid Peptide Dimers. The Journal of Physical Chemistry Letters 154.
Zeitschriftenartikel
63 (1), S. 49 - 59 (2016)
A Eukaryotic Sensor for Membrane Lipid Saturation. Molecular Cell 155.
Zeitschriftenartikel
1857 (7), S. 915 - 921 (2016)
Molecular simulation and modeling of complex I. Biochimica et Biophysica Acta, Bioenergetics 156.
Zeitschriftenartikel
113 (21), S. E2916 - E2924 (2016)
F1-ATPase conformational cycle from simultaneous single-molecule FRET and rotation measurements. Proceedings of the National Academy of Sciences of the United States of America 157.
Zeitschriftenartikel
113 (12), S. 3263 - 3268 (2016)
Microscopic interpretation of folding ϕ-values using the transition path ensemble. Proceedings of the National Academy of Sciences of the United States of America 158.
Zeitschriftenartikel
143 (24), S. 243150-1 - 243150-14 (2015)
Bayesian ensemble refinement by replica simulations and reweighting. The Journal of Chemical Physics 159.
Zeitschriftenartikel
5, 17341 (2015)
Assembly of the MHC I peptideloading complex determined by a conserved ionic lock-switch. Scientific Reports 160.
Zeitschriftenartikel
112 (46), S. 14248 - 14253 (2015)
On artifacts in single-molecule force spectroscopy. Proceedings of the National Academy of Sciences of the United States of America 161.
Zeitschriftenartikel
350 (6259), S. 445 - 450 (2015)
Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation. Science 162.
Zeitschriftenartikel
63 (1), S. 85 - 95 (2015)
MERA: a webserver for evaluating backbone torsion angle distributions in dynamic and disordered proteins from NMR data. Journal of Biomolecular NMR 163.
Zeitschriftenartikel
112 (34), S. 10720 - 10725 (2015)
Elasticity, friction, and pathway of γ-subunit rotation in FoF1-ATP synthase. Proceedings of the National Academy of Sciences of the United States of America 164.
Zeitschriftenartikel
119 (29), S. 9029 - 9037 (2015)
Optimal Dimensionality Reduction of Multistate Kinetic and Markov-State Models. The Journal of Physical Chemistry B 165.
Zeitschriftenartikel
23 (7), S. 1156 - 1167 (2015)
Outcome of the First wwPDB Hybrid/Integrative Methods Task Force Workshop. Structure 166.
Zeitschriftenartikel
112 (18), S. 5685 - 5690 (2015)
Accessory NUMM (NDUFS6) subunit harbors a Zn-binding site and is essential for biogenesis of mitochondrial complex I. Proceedings of the National Academy of Sciences of the United States of America 167.
Zeitschriftenartikel
23 (5), S. 809 - 818 (2015)
Solution Structure of the Atg1 Complex: Implications for the Architecture of the Phagophore Assembly Site. Structure 168.
Zeitschriftenartikel
115 (5), S. 2045 - 2222 (2015)
New Perspectives on Proton Pumping in Cellular Respiration. Chemical Reviews 169.
Zeitschriftenartikel
119 (6), S. 2611 - 2619 (2015)
Linear Energy Relationships in Ground State Proton Transfer and Excited State Proton-Coupled Electron Transfer. The Journal of Physical Chemistry B 170.
Zeitschriftenartikel
11 (1), S. 276 - 285 (2015)
Free Energies from Dynamic Weighted Histogram Analysis Using Unbiased Markov State Model. Journal of Chemical Theory and Computation 171.
Zeitschriftenartikel
141 (11), S. 114102 - 114117 (2014)
Diffusion maps, clustering and fuzzy Markov modeling in peptide folding transitions. The Journal of Chemical Physics 172.
Zeitschriftenartikel
346 (6207), S. 303 - 303 (2014)
Potassium ions line up. Do K+ ions move in single file through potassium channels? Science Magazine 173.
Zeitschriftenartikel
4 (3), S. 031037 - 031058 (2014)
Free-Propagator Reweighting Integrator for Single-Particle Dynamics in Reaction-Diffusion Models of Heterogeneous Protein-Protein Interaction Systems. Physical Review X 174.
Zeitschriftenartikel
23 (9), S. 1275 - 1290 (2014)
A maximum entropy approach to the study of residue-specific backbone angle distributions in α-synuclein, an intrinsically disordered protein. Protein Science 175.
Zeitschriftenartikel
111 (19), S. 6988 - 6993 (2014)
Electrostatics, hydration, and proton transfer dynamics in the membrane domain of respiratory complex I. Proceedings of the National Academy of Sciences of the United States of America 176.
Zeitschriftenartikel
6 (4), S. 258 - 259 (2014)
Contradictions in X-ray structures of intermediates in the photocycle of photoactive yellow protein. Nature Chemistry 177.
Zeitschriftenartikel
136 (8), S. 3137 - 3144 (2014)
Calcium Inhibition of Ribonuclease H1 Two-Metal Ion Catalysis. Journal of the American Chemical Society 178.
Zeitschriftenartikel
16 (1), S. 41 - 61 (2014)
Computing Equilibrium Free Energies Using Non-Equilibrium Molecular Dynamics. Entropy 179.
Zeitschriftenartikel
184 (3), S. 427 - 437 (2013)
Bayesian analysis of individual electron microscopy images: towards structures of dynamic and heterogeneous biomolecular assemblies. Journal of Structural Biology 180.
Zeitschriftenartikel
110 (44), S. 17874 - 17879 (2013)
Native contacts determine protein folding mechanisms in atomistic simulations. Proceedings of the National Academy of Sciences of the United States of America 181.
Zeitschriftenartikel
117 (42), S. 13098 - 13106 (2013)
Evolutionary pressure on the topology of protein interface interaction networks. The Journal of Physical Chemistry B 182.
Zeitschriftenartikel
110 (41), S. 16468 - 16473 (2013)
Phosphate release coupled to rotary motion of F1-ATPase. Proceedings of the National Academy of Sciences of the United States of America 183.
Zeitschriftenartikel
9 (5), e1003065 (2013)
Interface-resolved network of protein-protein interactions. PLoS Computational Biology 184.
Zeitschriftenartikel
87, 052712 (2013)
Atomic-resolution structural information from scattering experiments on macromolecules in solution. Physical Review E 185.
Zeitschriftenartikel
11 (2), e1001492 (2013)
The molecular mechanism of substrate engagement and immunosuppressant inhibition of calcineurin. PLoS Biology 186.
Zeitschriftenartikel
134 (50), S. 20544 - 20553 (2012)
Theoretical study of the mechanism of the hydride transfer between ferredoxin-NADP+ reductase and NADP+: the role of Tyr303. Journal of the American Chemical Society 187.
Zeitschriftenartikel
109 (47), S. 19256 - 19261 (2012)
Watching a signaling protein function in real time via 100-ps time-resolved Laue crystallography. Proceedings of the National Academy of Sciences of the United States of America 188.
Zeitschriftenartikel
8 (10), S. 3759 - 3768 (2012)
Theory and simulation of ion conduction in the pentameric GLIC channel. Journal of Chemical Theory and Computation 189.
Zeitschriftenartikel
8 (10), e1002736 (2012)
Membrane-elasticity model of Coatless vesicle budding induced by ESCRT complexes. PLoS Computational Biology 190.
Zeitschriftenartikel
5, 87 (2012)
Transition path times for DNA and RNA folding from force spectroscopy. Physics 191.
Zeitschriftenartikel
137 (3), 034110 (2012)
Pair diffusion, hydrodynamic interactions, and available volume in dense fluids. The Journal of Chemical Physics 192.
Zeitschriftenartikel
103 (2), S. 219 - 227 (2012)
Drying transition in the hydrophobic gate of the GLIC channel blocks ion conduction. Biophysical Journal 193.
Zeitschriftenartikel
116 (29), S. 8573 - 8583 (2012)
Characterization of a dynamic string method for the construction of transition pathways in molecular reactions. The Journal of Physical Chemistry B 194.
Zeitschriftenartikel
137 (4), 044709 (2012)
Entropy of single-file water in (6,6) carbon nanotubes. The Journal of Chemical Physics 195.
Zeitschriftenartikel
20 (5), S. 874 - 886 (2012)
Solution structure of the ESCRT-I and -II supercomplex: implications for membrane budding and scission. Structure 196.
Zeitschriftenartikel
1817 (4), S. 526 - 536 (2012)
Proton-pumping mechanism of cytochrome c oxidase: a kinetic master-equation approach. Biochimica et Biophysica Acta: BBA 197.
Zeitschriftenartikel
109 (12), S. 4431 - 4436 (2012)
Stoichiometry of proton translocation by respiratory complex I and its mechanistic implications. Proceedings of the National Academy of Sciences of the United States of America 198.
Zeitschriftenartikel
33 (4), S. 453 - 465 (2012)
Convergence and error estimation in free energy calculations using the weighted histogram analysis method. Journal of Computational Chemistry 199.
Zeitschriftenartikel
7 (12), S. 916 - 924 (2011)
Structural basis of p38α regulation by hematopoietic tyrosine phosphatase. Nature Chemical Biology 200.
Zeitschriftenartikel
133 (43), S. 17138 - 17141 (2011)
Resting and active states of the ERK2:HePTP complex. Journal of the American Chemical Society