Publikationen von Gerhard Hummer
Alle Typen
Zeitschriftenartikel (370)
101.
Zeitschriftenartikel
Phospholipid Scramblases Remodel the Shape of Asymmetric Membranes. The Journal of Physical Chemistry Letters 10 (20), S. 6351 - 6354 (2019)
102.
Zeitschriftenartikel
Molecular free energy profiles from force spectroscopy experiments by inversion of observed committors. The Journal of Chemical Physics 151 (15), 154115 (2019)
103.
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Fragment Binding Pose Predictions Using Unbiased Simulations and Markov-State Models. Journal of Chemical Theory and Computation 15 (9), S. 4974 - 4981 (2019)
104.
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Osh Proteins Control Nanoscale Lipid Organization Necessary for PI(4,5)P2 Synthesis. Molecular Cell 75 (5), S. 1043 - 1057 (2019)
105.
Zeitschriftenartikel
Conformation space of a heterodimeric ABC exporter under turnover conditions. Nature 571 (7766), S. 580 - 583 (2019)
106.
Zeitschriftenartikel
Membrane perforation by the pore-forming toxin pneumolysin. Proceedings of the National Academy of Sciences of the United States of America 116 (27), S. 13352 - 13357 (2019)
107.
Zeitschriftenartikel
Finite-Size-Corrected Rotational Diffusion Coefficients of Membrane Proteins and Carbon Nanotubes from Molecular Dynamics Simulations. The Journal of Physical Chemistry B 123 (24), S. 5099 - 5106 (2019)
108.
Zeitschriftenartikel
Inward-facing conformation of a multidrug resistance MATE family transporter. Proceedings of the National Academy of Sciences of the United States of America 116 (25), S. 12275 - 12284 (2019)
109.
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Curvature induction and membrane remodeling by FAM134B reticulon homology domain assist selective ER-phagy. Nature Communications 10, 2370 (2019)
110.
Zeitschriftenartikel
Efficient Ensemble Refinement by Reweighting. Journal of Chemical Theory and Computation 15 (5), S. 3390 - 3409 (2019)
111.
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Dynamic cluster formation determines viscosity and diffusion in dense protein solutions. Proceedings of the National Academy of Sciences of the United States of America 116 (20), S. 9843 - 9852 (2019)
112.
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Structural basis for functional interactions in dimers of SLC26 transporters. Nature Communications 10, 2032 (2019)
113.
Zeitschriftenartikel
Mechanism of the electroneutral sodium/proton antiporter PaNhaP from transition-path shooting. Nature Communications 10, 1742 (2019)
114.
Zeitschriftenartikel
Structure of Outward-Facing PglK and Molecular Dynamics of Lipid-Linked Oligosaccharide Recognition and Translocation. Structure 27 (4), S. 669 - 678.e5 (2019)
115.
Zeitschriftenartikel
Multifaceted Water Dynamics in Spherical Nanocages. The Journal of Physical Chemistry C 123 (10), S. 5989 - 5998 (2019)
116.
Zeitschriftenartikel
Bidirectional Control of Autophagy by BECN1 BARA Domain Dynamics. Molecular Cell 73 (2), S. 339 - 353 (2019)
117.
Zeitschriftenartikel
Quantification of membrane receptor complexes with single-molecule localization microscopy. Proceedings of SPIE 10884, 108840T (2019)
118.
Zeitschriftenartikel
ATP-dependent force generation and membrane scission by ESCRT-III and Vps4. Science 362 (6421), S. 1423 - 1428 (2018)
119.
Zeitschriftenartikel
Dispersion Correction Alleviates Dye Stacking of Single-Stranded DNA and RNA in Simulations of Single-Molecule Fluorescence Experiments. The Journal of Physical Chemistry B 122 (49), S. 11626 - 11639 (2018)
120.
Zeitschriftenartikel
Optimal Destabilization of DNA Double Strands by Single-Nucleobase Caging. Chemistry – A European Journal 24 (66), S. 17568 - 17576 (2018)
121.
Zeitschriftenartikel
Structural and functional insights into the interaction and targeting hub TMD0 of the polypeptide transporter TAPL. Scientific Reports 8, 15662 (2018)
122.
Zeitschriftenartikel
Analysis and engineering of substrate shuttling by the acyl carrier protein (ACP) in fatty acid synthases (FASs). Chemical Communications 54 (82), S. 11606 - 11609 (2018)
123.
Zeitschriftenartikel
Precision DEER Distances from Spin-Label Ensemble Refinement. The Journal of Physical Chemistry Letters 9 (18), S. 5748 - 5752 (2018)
124.
Zeitschriftenartikel
Bayesian inference of rotor ring stoichiometry from electron microscopy images of archaeal ATP synthase. Microscopy 67 (5), S. 266 - 273 (2018)
125.
Zeitschriftenartikel
Redox-coupled quinone dynamics in the respiratory complex I. Proceedings of the National Academy of Sciences of the United States of America 115 (36), S. E8413 - E8420 (2018)
126.
Zeitschriftenartikel
The molecular recognition of phosphatidic acid by an amphipathic helix in Opi1. The Journal of Cell Biology: JCB 217 (9), S. 3109 - 3126 (2018)
127.
Zeitschriftenartikel
Molecular dynamics simulations of carbon nanotube porins in lipid bilayers. Faraday Discussions 209, S. 341 - 358 (2018)
128.
Zeitschriftenartikel
Integrated Functions of Membrane Property Sensors and a Hidden Side of the Unfolded Protein Response. Molecular Cell 71 (3), S. 458 - 467 (2018)
129.
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Hydrodynamics of Diffusion in Lipid Membrane Simulations. Physical Review Letters 120 (26), 268104 (2018)
130.
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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 14 (7), S. 3811 - 3824 (2018)
131.
Zeitschriftenartikel
Rotational Diffusion Depends on Box Size in Molecular Dynamics Simulations. The Journal of Physical Chemistry Letters 9 (11), S. 2874 - 2878 (2018)
132.
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Fully Anisotropic Rotational Diffusion Tensor from Molecular Dynamics Simulations. The Journal of Physical Chemistry B 122 (21), S. 5630 - 5639 (2018)
133.
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Retinal isomerization and water-pore formation in channelrhodopsin-2. Proceedings of the National Academy of Sciences of the United States of America 115 (14), S. 3557 - 3562 (2018)
134.
Zeitschriftenartikel
Likelihood-based structural analysis of electron microscopy images. Current Opinion in Structural Biology 49, S. 162 - 168 (2018)
135.
Zeitschriftenartikel
Transition paths in single-molecule force spectroscopy. The Journal of Chemical Physics 148 (12), 123309 (2018)
136.
Zeitschriftenartikel
Structural basis of the molecular ruler mechanism of a bacterial glycosyltransferase. Nature Communications 9, 445 (2018)
137.
Zeitschriftenartikel
Cryo-EM structure of the bifunctional secretin complex of Thermus thermophilus. eLife 6, 10.7554/eLife.30483 (2017)
138.
Zeitschriftenartikel
Dynamic Histogram Analysis To Determine Free Energies and Rates from Biased Simulations. Journal of Chemical Theory and Computation 13 (12), S. 6328 - 6342 (2017)
139.
Zeitschriftenartikel
Classical Molecular Dynamics with Mobile Protons. Journal of Chemical Information and Modeling 57 (11), S. 2833 - 2845 (2017)
140.
Zeitschriftenartikel
Scaffolding the cup-shaped double membrane in autophagy. PLoS Computational Biology 13 (10), e1005817 (2017)
141.
Zeitschriftenartikel
Transition path sampling of rare events by shooting from the top. The Journal of Chemical Physics 147 (15), 152716 (2017)
142.
Zeitschriftenartikel
Peptide dimerization-dissociation rates from replica exchange molecular dynamics. The Journal of Chemical Physics 147 (15), 152725 (2017)
143.
Zeitschriftenartikel
Variational Identification of Markovian Transition States. Physical Review X 7 (3), 031060 (2017)
144.
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Formation and Stability of Lipid Membrane Nanotubes. ACS Nano 11 (9), S. 9558 - 9565 (2017)
145.
Zeitschriftenartikel
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 112 (37), S. 11571 - 11576 (2017)
146.
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Resolving the Conformational Dynamics of DNA with Ångstrom Resolution by Pulsed Electron–Electron Double Resonance and Molecular Dynamics. Journal of the American Chemical Society 139 (34), S. 11674 - 11677 (2017)
147.
Zeitschriftenartikel
Activation of the Unfolded Protein Response by Lipid Bilayer Stress. Molecular Cell 67 (4), S. 673 - 684 (2017)
148.
Zeitschriftenartikel
Kinetics from Replica Exchange Molecular Dynamics Simulations. Journal of Chemical Theory and Computation 13 (8), S. 3927 - 3935 (2017)
149.
Zeitschriftenartikel
Intrinsic map dynamics exploration for uncharted effective free-energy landscapes. Proceedings of the National Academy of Sciences of the United States of America 114 (28), S. E5494 - E5503 (2017)
150.
Zeitschriftenartikel
Modeling Hsp70/Hsp40 interaction by multi-scale molecular simulations and coevolutionary sequence analysis. eLife 6, e23471 (2017)
151.
Zeitschriftenartikel
Position-Dependent Diffusion Tensors in Anisotropic Media from Simulation: Oxygen Transport in and through Membranes. Journal of Chemical Theory and Computation 13 (6), S. 2962 - 2976 (2017)
152.
Zeitschriftenartikel
Systematic evaluation of CS‐Rosetta for membrane protein structure prediction with sparse NOE restraints. Proteins: Structure, Function, and Bioinformatics 85 (5), S. 812 - 826 (2017)
153.
Zeitschriftenartikel
Dynamics of the Orientational Factor in Fluorescence Resonance Energy Transfer. The Journal of Physical Chemistry B 121 (15), S. 3331 - 3339 (2017)
154.
Zeitschriftenartikel
Molecule Counts in Localization Microscopy with Organic Fluorophores. ChemPhysChem 18 (8), S. 942 - 948 (2017)
155.
Zeitschriftenartikel
Carbon Nanotubes Mediate Fusion of Lipid Vesicles. ACS Nano 11 (2), S. 1273 - 1280 (2017)
156.
Zeitschriftenartikel
Equivalence of M- and P-Summation in Calculations of Ionic Solvation Free Energies. The Journal of Physical Chemistry A 121 (7), S. 1525 - 1530 (2017)
157.
Zeitschriftenartikel
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 114 (4), S. E438 - E447 (2017)
158.
Zeitschriftenartikel
BioEM: GPU-accelerated computing of Bayesian inference of electron microscopy images. Computer Physics Communications 210 (01), S. 163 - 171 (2017)
159.
Zeitschriftenartikel
Helical jackknives control the gates of the double-pore K+ uptake system KtrABs. eLife, S. 1 - 21 (2017)
160.
Zeitschriftenartikel
Model-independent counting of molecules in single-molecule localization microscopy. Molecular Biology of the Cell 27 (22), S. 3637 - 3644 (2016)
161.
Zeitschriftenartikel
Antigenic Peptide Recognition on the Human ABC Transporter TAP Resolved by DNP-Enhanced Solid-State NMR Spectroscopy. Journal of the American Chemical Society 138 (42), S. 13967 - 13974 (2016)
162.
Zeitschriftenartikel
Divergent Diffusion Coefficients in Simulations of Fluids and Lipid Membranes. The Journal of Physical Chemistry B 25 (33), S. 8722 - 8732 (2016)
163.
Zeitschriftenartikel
Kinetic Ductility and Force-Spike Resistance of Proteins from Single-Molecule Force Spectroscopy. Biophysical Journal 111 (4), S. 832 - 840 (2016)
164.
Zeitschriftenartikel
Cardiolipin puts the seal on ATP synthase. Proceedings of the National Academy of Sciences of the United States of America 113 (31), S. 8568 - 8570 (2016)
165.
Zeitschriftenartikel
Coarse Master Equations for Binding Kinetics of Amyloid Peptide Dimers. The Journal of Physical Chemistry Letters 7 (14), S. 2676 - 2682 (2016)
166.
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A Eukaryotic Sensor for Membrane Lipid Saturation. Molecular Cell 63 (1), S. 49 - 59 (2016)
167.
Zeitschriftenartikel
Molecular simulation and modeling of complex I. Biochimica et Biophysica Acta, Bioenergetics 1857 (7), S. 915 - 921 (2016)
168.
Zeitschriftenartikel
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 113 (21), S. E2916 - E2924 (2016)
169.
Zeitschriftenartikel
Microscopic interpretation of folding ϕ-values using the transition path ensemble. Proceedings of the National Academy of Sciences of the United States of America 113 (12), S. 3263 - 3268 (2016)
170.
Zeitschriftenartikel
Bayesian ensemble refinement by replica simulations and reweighting. The Journal of Chemical Physics 143 (24), S. 243150-1 - 243150-14 (2015)
171.
Zeitschriftenartikel
Assembly of the MHC I peptideloading complex determined by a conserved ionic lock-switch. Scientific Reports 5, 17341 (2015)
172.
Zeitschriftenartikel
On artifacts in single-molecule force spectroscopy. Proceedings of the National Academy of Sciences of the United States of America 112 (46), S. 14248 - 14253 (2015)
173.
Zeitschriftenartikel
Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation. Science 350 (6259), S. 445 - 450 (2015)
174.
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MERA: a webserver for evaluating backbone torsion angle distributions in dynamic and disordered proteins from NMR data. Journal of Biomolecular NMR 63 (1), S. 85 - 95 (2015)
175.
Zeitschriftenartikel
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 112 (34), S. 10720 - 10725 (2015)
176.
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Optimal Dimensionality Reduction of Multistate Kinetic and Markov-State Models. The Journal of Physical Chemistry B 119 (29), S. 9029 - 9037 (2015)
177.
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Outcome of the First wwPDB Hybrid/Integrative Methods Task Force Workshop. Structure 23 (7), S. 1156 - 1167 (2015)
178.
Zeitschriftenartikel
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 112 (18), S. 5685 - 5690 (2015)
179.
Zeitschriftenartikel
Solution Structure of the Atg1 Complex: Implications for the Architecture of the Phagophore Assembly Site. Structure 23 (5), S. 809 - 818 (2015)
180.
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New Perspectives on Proton Pumping in Cellular Respiration. Chemical Reviews 115 (5), S. 2045 - 2222 (2015)
181.
Zeitschriftenartikel
Linear Energy Relationships in Ground State Proton Transfer and Excited State Proton-Coupled Electron Transfer. The Journal of Physical Chemistry B 119 (6), S. 2611 - 2619 (2015)
182.
Zeitschriftenartikel
Free Energies from Dynamic Weighted Histogram Analysis Using Unbiased Markov State Model. Journal of Chemical Theory and Computation 11 (1), S. 276 - 285 (2015)
183.
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Diffusion maps, clustering and fuzzy Markov modeling in peptide folding transitions. The Journal of Chemical Physics 141 (11), S. 114102 - 114117 (2014)
184.
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Potassium ions line up. Do K+ ions move in single file through potassium channels? Science Magazine 346 (6207), S. 303 - 303 (2014)
185.
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Free-Propagator Reweighting Integrator for Single-Particle Dynamics in Reaction-Diffusion Models of Heterogeneous Protein-Protein Interaction Systems. Physical Review X 4 (3), S. 031037 - 031058 (2014)
186.
Zeitschriftenartikel
A maximum entropy approach to the study of residue-specific backbone angle distributions in α-synuclein, an intrinsically disordered protein. Protein Science 23 (9), S. 1275 - 1290 (2014)
187.
Zeitschriftenartikel
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 111 (19), S. 6988 - 6993 (2014)
188.
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Contradictions in X-ray structures of intermediates in the photocycle of photoactive yellow protein. Nature Chemistry 6 (4), S. 258 - 259 (2014)
189.
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Calcium Inhibition of Ribonuclease H1 Two-Metal Ion Catalysis. Journal of the American Chemical Society 136 (8), S. 3137 - 3144 (2014)
190.
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Computing Equilibrium Free Energies Using Non-Equilibrium Molecular Dynamics. Entropy 16 (1), S. 41 - 61 (2014)
191.
Zeitschriftenartikel
Bayesian analysis of individual electron microscopy images: towards structures of dynamic and heterogeneous biomolecular assemblies. Journal of Structural Biology 184 (3), S. 427 - 437 (2013)
192.
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Native contacts determine protein folding mechanisms in atomistic simulations. Proceedings of the National Academy of Sciences of the United States of America 110 (44), S. 17874 - 17879 (2013)
193.
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Evolutionary pressure on the topology of protein interface interaction networks. The Journal of Physical Chemistry B 117 (42), S. 13098 - 13106 (2013)
194.
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Phosphate release coupled to rotary motion of F1-ATPase. Proceedings of the National Academy of Sciences of the United States of America 110 (41), S. 16468 - 16473 (2013)
195.
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Interface-resolved network of protein-protein interactions. PLoS Computational Biology 9 (5), e1003065 (2013)
196.
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Atomic-resolution structural information from scattering experiments on macromolecules in solution. Physical Review E 87, 052712 (2013)
197.
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The molecular mechanism of substrate engagement and immunosuppressant inhibition of calcineurin. PLoS Biology 11 (2), e1001492 (2013)
198.
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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 134 (50), S. 20544 - 20553 (2012)
199.
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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 109 (47), S. 19256 - 19261 (2012)
200.
Zeitschriftenartikel
Theory and simulation of ion conduction in the pentameric GLIC channel. Journal of Chemical Theory and Computation 8 (10), S. 3759 - 3768 (2012)