Publikationen Gerhard Hummer
Zeitschriftenartikel (342)
2023
Zeitschriftenartikel
Molecular mechanisms of inorganic-phosphate release from the core and barbed end of actin filaments. Nature Structural & Molecular Biology (2023)
Zeitschriftenartikel
Structure-function analysis suggests that the photoreceptor LITE-1 is a light-activated ion channel. Current biology: CB (2023)
Zeitschriftenartikel
14, 4165 (2023)
Crosstalk between regulatory elements in disordered TRPV4 N-terminus modulates lipid-dependent channel activity. Nature Communications
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Unwrapping NPT Simulations to Calculate Diffusion Coefficients. Journal of Chemical Theory and Computation (2023)
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Heteromeric clusters of ubiquitinated ER-shaping proteins drive ER-phagy. Nature (2023)
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Ubiquitination regulates ER-phagy and remodelling of endoplasmic reticulum. Nature, S. 1 - 8 (2023)
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30 (5), S. 499 - 512 (2023)
Selective killing of the human gastric pathogen Helicobacter pylori by mitochondrial respiratory complex I inhibitors. Cell Chemical Biology
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Visualizing the disordered nuclear transport machinery in situ. Nature (2023)
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3 (4), S. 334 - 345 (2023)
Machine-guided path sampling to discover mechanisms of molecular self-organization. Nature Computational Science
Zeitschriftenartikel
10, S. 1 - 12 (2023)
Dissecting the conformational complexity and mechanism of a bacterial heme transporter. Nature Chemical Biology
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19 (5), S. 1592 - 1601 (2023)
Optimal Bond Constraint Topology for Molecular Dynamics Simulations of Cholesterol. Journal of Chemical Theory and Computation
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78, 102501 (2023)
Structural ensembles of disordered proteins from hierarchical chain growth and simulation. Current Opinion in Structural Biology
Zeitschriftenartikel
19 (1), e1010822 (2023)
Antibody accessibility determines location of spike surface mutations in SARS-CoV-2 variants. PLoS Computational Biology 2022
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13 (1), 7926 (2022)
Force-tuned avidity of spike variant-ACE2 interactions viewed on the single-molecule level. Nature Communications
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8 (50), eadd1436 (2022)
Membrane curvature sensing and stabilization by the autophagic LC3 lipidation machinery. Science Advances
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157 (20), 204802 (2022)
Complexes++: Efficient and versatile coarse-grained simulations of protein complexes and their dense solutions. The Journal of Chemical Physics
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11, e81432 (2022)
Sublytic gasdermin-D pores captured in atomistic molecular simulations. eLife
Zeitschriftenartikel
157 (17), 174801 (2022)
TriMem: A parallelized hybrid Monte Carlo software for efficient simulations of lipid membranes. The Journal of Chemical Physics
Zeitschriftenartikel
119 (39), e2209823119 (2022)
In situ structural analysis reveals membrane shape transitions during autophagosome formation. Proceedings of the National Academy of Sciences of the United States of America
Zeitschriftenartikel
41 (18), e109990 (2022)
Cryo-EM structures of pentameric autoinducer-2 exporter from Escherichia coli reveal its transport mechanism. The EMBO Journal
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Nanoporous Membranes of Densely Packed Carbon Nanotubes Formed by Lipid-Mediated Self-Assembly. ACS applied bio materials (2022)
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13 (32), S. 7490 - 7496 (2022)
Transition Rates and Efficiency of Collective Variables from Time-Dependent Biased Simulations. The Journal of Physical Chemistry Letters
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185 (17), S. 3201 - 3213 (2022)
Structure of a fully assembled tumor-specific T cell receptor ligated by pMHC. Cell
Zeitschriftenartikel
4 (3), 033097 (2022)
Reversible bond kinetics from single-molecule force spectroscopy experiments close to equilibrium. Physical Review Research
Zeitschriftenartikel
157 (3), 034101 (2022)
Small ionic radii limit time step in Martini 3 molecular dynamics simulations. The Journal of Chemical Physics
Zeitschriftenartikel
376 (6598), eabm9506 (2022)
AI-based structure prediction empowers integrative structural analysis of human nuclear pores. Science
Zeitschriftenartikel
82 (11), S. 2006 - 2020.e8 (2022)
Kinase domain autophosphorylation rewires the activity and substrate specificity of CK1 enzymes. Molecular Cell
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13, 1224 (2022)
Co-translational assembly orchestrates competing biogenesis pathways. Nature Communications
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2 (3), S. 673 - 686 (2022)
Global Structure of the Intrinsically Disordered Protein Tau Emerges from Its Local Structure. JACS Au
Zeitschriftenartikel
13 (1), 1022 (2022)
Evidence for a trap-and-flip mechanism in a proton-dependent lipid transporter. Nature Communications
Zeitschriftenartikel
41 (3), e108443 (2022)
Disease-linked TDP-43 hyperphosphorylation suppresses TDP-43 condensation and aggregation. EMBO Journal 2021
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94 (12), 245 (2021)
Empirical optimization of molecular simulation force fields by Bayesian inference. The European Physical Journal B: Condensend Matter Physics
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374 (6573), eabd9776 (2021)
Nuclear pores dilate and constrict in cellulo. Science
Zeitschriftenartikel
81, S. 4635 - 4649 (2021)
Structural basis of polyamine transport by human ATP13A2 (PARK9). Molecular Cell
Zeitschriftenartikel
118 (46), e2107335118 (2021)
The structure of the Aquifex aeolicus MATE family multidrug resistance transporter and sequence comparisons suggest the existence of a new subfamily. Proceedings of the National Academy of Sciences of the United States of America
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1 (12), S. 2162 - 2171 (2021)
Solution Structure and Conformational Flexibility of a Polyketide Synthase Module. JACS Au
Zeitschriftenartikel
121 (19), S. 11701 - 11725 (2021)
Atomic Force Microscopy-Based Force Spectroscopy and Multiparametric Imaging of Biomolecular and Cellular Systems. Chemical Reviews
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22 (9), e52289 (2021)
Role of FAM134 paralogues in endoplasmic reticulum remodeling, ER-phagy, and Collagen quality control. EMBO Reports
Zeitschriftenartikel
12 (1), 5236 (2021)
The cryo-EM structure of the bd oxidase from M. tuberculosis reveals a unique structural framework and enables rational drug design to combat TB. Nature Communications
Zeitschriftenartikel
220 (8), e202011078 (2021)
Cysteine cross-linking in native membranes establishes the transmembrane architecture of Ire1. The Journal of Cell Biology
Zeitschriftenartikel
297 (2), 100925 (2021)
Famotidine inhibits Toll-like receptor 3-mediated inflammatory signaling in SARS-CoV2 infection. The Journal of Biological Chemistry
Zeitschriftenartikel
125 (28), S. 7732 - 7741 (2021)
Binding of SARS-CoV-2 Fusion Peptide to Host Endosome and Plasma Membrane. The Journal of Physical Chemistry B
Zeitschriftenartikel
154 (23), 234105 (2021)
Maximum likelihood estimates of diffusion coefficients from single-particle tracking experiments. The Journal of Chemical Physics
Zeitschriftenartikel
118 (19), e2100425118 (2021)
Dual nature of human ACE2 glycosylation in binding to SARS-CoV-2 spike. Proceedings of the National Academy of Sciences of the United States of America
Zeitschriftenartikel
118 (19), e2016974118 (2021)
Membrane fusion and drug delivery with carbon nanotube porins. Proceedings of the National Academy of Sciences of the United States of America
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17 (4), e1008790 (2021)
Computational epitope map of SARS-CoV-2 spike protein. PLoS Computational Biology
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12 (7), S. 1926 - 1931 (2021)
FAM134B-RHD Protein Clustering Drives Spontaneous Budding of Asymmetric Membranes. The Journal of Physical Chemistry Letters
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17 (1), S. 525 - 537 (2021)
Simulation of FUS Protein Condensates with an Adapted Coarse-Grained Model. Journal of Chemical Theory and Computation
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28 (1), S. 2 - 7 (2021)
Structural biology in the fight against COVID-19. Nature Structural and Molecular Biology
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17 (1), S. 1 - 382 (2021)
Guidelines for the use and interpretation of assays for monitoring autophagy (4th edition). Autophagy 2020
Zeitschriftenartikel
59, S. 23025 - 23029 (2020)
Compaction of RNA duplexes in the cell. Angewandte Chemie, International Edition in English
Zeitschriftenartikel
587 (7835), S. 657 - 662 (2020)
Papain-like protease regulates SARS-CoV-2 viral spread and innate immunity. Nature
Zeitschriftenartikel
9 (2020)
Bacterial OTU deubiquitinases regulate substrate ubiquitination upon Legionella infection. eLife
Zeitschriftenartikel
117 (44), S. 27132 - 27140 (2020)
Desmosome architecture derived from molecular dynamics simulations and cryo-electron tomography. Proceedings of the National Academy of Sciences of the United States of America
Zeitschriftenartikel
370 (6513), S. 203 - 208 (2020)
In situ structural analysis of SARS-CoV-2 spike reveals flexibility mediated by three hinges. Science
Zeitschriftenartikel
16 (10), S. 1078 - 1086 (2020)
p63 uses a switch-like mechanism to set the threshold for induction of apoptosis. Nature Chemical Biology
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153 (14), 144105 (2020)
MDBenchmark: A toolkit to optimize the performance of molecular dynamics simulations. The Journal of Chemical Physics
Zeitschriftenartikel
369 (6508), eaaz7714 (2020)
Reconstitution of autophagosome nucleation defines Atg9 vesicles as seeds for membrane formation. Science
Zeitschriftenartikel
4, 100032 (2020)
Validation tests for cryo-EM maps using an independent particle set. Journal of Structural Biology: X
Zeitschriftenartikel
153 (2), 024116 (2020)
Optimal estimates of self-diffusion coefficients from molecular dynamics simulations. The Journal of Chemical Physics
Zeitschriftenartikel
153 (2), 021101 (2020)
Systematic errors in diffusion coefficients from long-time molecular dynamics simulations at constant pressure. The Journal of Chemical Physics
Zeitschriftenartikel
124 (23), S. 4673 - 4685 (2020)
Quantifying Protein-Protein Interactions in Molecular Simulations. The Journal of Physical Chemistry B
Zeitschriftenartikel
368 (6489), eaaz2449, S. 385 (2020)
Structural basis of ER-associated protein degradation mediated by the Hrd1 ubiquitin ligase complex. Science
Zeitschriftenartikel
117 (10), S. 5109 - 5110 (2020)
Reply to Desikan et al.: Micelle formation among various mechanisms of toxin pore formation. Proceedings of the National Academy of Sciences of the United States of America
Zeitschriftenartikel
11, 756 (2020)
Regulation of lipid saturation without sensing membrane fluidity. Nature Communications
Zeitschriftenartikel
48 (2), S. 924 - 933 (2020)
High-resolution EPR distance measurements on RNA and DNA with the non-covalent Ǵ spin label. Nucleic Acids Research
Zeitschriftenartikel
124 (2), S. 336 - 344 (2020)
Ion Binding and Selectivity of the Na+/H+ Antiporter MjNhaP1 from Experiment and Simulation. The Journal of Physical Chemistry B
Zeitschriftenartikel
16 (1), S. 725 - 737 (2020)
Hierarchical Ensembles of Intrinsically Disordered Proteins at Atomic Resolution in Molecular Dynamics Simulations. Journal of Chemical Theory and Computation
Zeitschriftenartikel
77 (1), S. 164 - 179 (2020)
Regulation of Phosphoribosyl-Linked Serine Ubiquitination by Deubiquitinases DupA and DupB. Molecular Cell 2019
Zeitschriftenartikel
27 (12), S. 1745 - 1759 (2019)
Federating Structural Models and Data: Outcomes from A Workshop on Archiving Integrative Structures. Structure
Zeitschriftenartikel
52 (47), 474002 (2019)
Molecule counts in complex oligomers with single-molecule localization microscopy. Journal of Physics D: Applied Physics
Zeitschriftenartikel
21 (1), e48317 (2019)
TBK1-mediated phosphorylation of LC3C and GABARAP-L2 controls autophagosome shedding by ATG4 protease. EMBO Reports
Zeitschriftenartikel
10 (20), S. 6351 - 6354 (2019)
Phospholipid Scramblases Remodel the Shape of Asymmetric Membranes. The Journal of Physical Chemistry Letters
Zeitschriftenartikel
151 (15), 154115 (2019)
Molecular free energy profiles from force spectroscopy experiments by inversion of observed committors. The Journal of Chemical Physics
Zeitschriftenartikel
15 (9), S. 4974 - 4981 (2019)
Fragment Binding Pose Predictions Using Unbiased Simulations and Markov-State Models. Journal of Chemical Theory and Computation
Zeitschriftenartikel
75 (5), S. 1043 - 1057 (2019)
Osh Proteins Control Nanoscale Lipid Organization Necessary for PI(4,5)P2 Synthesis. Molecular Cell
Zeitschriftenartikel
571 (7766), S. 580 - 583 (2019)
Conformation space of a heterodimeric ABC exporter under turnover conditions. Nature
Zeitschriftenartikel
116 (27), S. 13352 - 13357 (2019)
Membrane perforation by the pore-forming toxin pneumolysin. Proceedings of the National Academy of Sciences of the United States of America
Zeitschriftenartikel
123 (24), S. 5099 - 5106 (2019)
Finite-Size-Corrected Rotational Diffusion Coefficients of Membrane Proteins and Carbon Nanotubes from Molecular Dynamics Simulations. The Journal of Physical Chemistry B
Zeitschriftenartikel
116 (25), S. 12275 - 12284 (2019)
Inward-facing conformation of a multidrug resistance MATE family transporter. Proceedings of the National Academy of Sciences of the United States of America
Zeitschriftenartikel
10, 2370 (2019)
Curvature induction and membrane remodeling by FAM134B reticulon homology domain assist selective ER-phagy. Nature Communications
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15 (5), S. 3390 - 3409 (2019)
Efficient Ensemble Refinement by Reweighting. Journal of Chemical Theory and Computation
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116 (20), S. 9843 - 9852 (2019)
Dynamic cluster formation determines viscosity and diffusion in dense protein solutions. Proceedings of the National Academy of Sciences of the United States of America
Zeitschriftenartikel
10, 2032 (2019)
Structural basis for functional interactions in dimers of SLC26 transporters. Nature Communications
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10, 1742 (2019)
Mechanism of the electroneutral sodium/proton antiporter PaNhaP from transition-path shooting. Nature Communications
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27 (4), S. 669 - 678.e5 (2019)
Structure of Outward-Facing PglK and Molecular Dynamics of Lipid-Linked Oligosaccharide Recognition and Translocation. Structure
Zeitschriftenartikel
123 (10), S. 5989 - 5998 (2019)
Multifaceted Water Dynamics in Spherical Nanocages. The Journal of Physical Chemistry C
Zeitschriftenartikel
73 (2), S. 339 - 353 (2019)
Bidirectional Control of Autophagy by BECN1 BARA Domain Dynamics. Molecular Cell
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10884, 108840T (2019)
Quantification of membrane receptor complexes with single-molecule localization microscopy. Proceedings of SPIE 2018
Zeitschriftenartikel
362 (6421), S. 1423 - 1428 (2018)
ATP-dependent force generation and membrane scission by ESCRT-III and Vps4. Science
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
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24 (66), S. 17568 - 17576 (2018)
Optimal Destabilization of DNA Double Strands by Single-Nucleobase Caging. Chemistry – A European Journal
Zeitschriftenartikel
8, 15662 (2018)
Structural and functional insights into the interaction and targeting hub TMD0 of the polypeptide transporter TAPL. Scientific Reports
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
Zeitschriftenartikel
9 (18), S. 5748 - 5752 (2018)
Precision DEER Distances from Spin-Label Ensemble Refinement. The Journal of Physical Chemistry Letters
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67 (5), S. 266 - 273 (2018)
Bayesian inference of rotor ring stoichiometry from electron microscopy images of archaeal ATP synthase. Microscopy
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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
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217 (9), S. 3109 - 3126 (2018)
The molecular recognition of phosphatidic acid by an amphipathic helix in Opi1. The Journal of Cell Biology: JCB
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209, S. 341 - 358 (2018)
Molecular dynamics simulations of carbon nanotube porins in lipid bilayers. Faraday Discussions