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Author Details

Gerhard Hummer
Max Planck Institute of Biophysics
1994
292
79
Andrej Sali (CM4AI)
PMIDPaper TitleJournal TitlePublished Year
36070609Nanoporous Membranes of Densely Packed Carbon Nanotubes Formed by Lipid-Mediated Self-Assembly.ACS Appl Bio Mater2024
36800179Optimal Bond Constraint Topology for Molecular Dynamics Simulations of Cholesterol.J Chem Theory Comput2023
37527662Structure-function analysis suggests that the photoreceptor LITE-1 is a light-activated ion channel.Curr Biol2023
37938588Cell-free biosynthesis combined with deep learning accelerates de novo-development of antimicrobial peptides.Nat Commun2023
37257090Unwrapping NPT Simulations to Calculate Diffusion Coefficients.J Chem Theory Comput2023
37443299Crosstalk between regulatory elements in disordered TRPV4 N-terminus modulates lipid-dependent channel activity.Nat Commun2023
37100914Visualizing the disordered nuclear transport machinery in situ.Nature2023
37100053Selective killing of the human gastric pathogen Helicobacter pylori by mitochondrial respiratory complex I inhibitors.Cell Chem Biol2023
37131678Structure and assembly of a bacterial gasdermin pore.bioRxiv2023
37095238Dissecting the conformational complexity and mechanism of a bacterial heme transporter.Nat Chem Biol2023
37225994Heteromeric clusters of ubiquitinated ER-shaping proteins drive ER-phagy.Nature2023
36693110Antibody accessibility determines location of spike surface mutations in SARS-CoV-2 variants.PLoS Comput Biol2023
36463772Structural ensembles of disordered proteins from hierarchical chain growth and simulation.Curr Opin Struct Biol2023
35197476Evidence for a trap-and-flip mechanism in a proton-dependent lipid transporter.Nat Commun2022
35679397AI-based structure prediction empowers integrative structural analysis of human nuclear pores.Science2022
35373198Global Structure of the Intrinsically Disordered Protein Tau Emerges from Its Local Structure.JACS Au2022
35698912Cryo-EM structures of pentameric autoinducer-2 exporter from Escherichia coli reveal its transport mechanism.EMBO J2022
35353987Kinase domain autophosphorylation rewires the activity and substrate specificity of CK1 enzymes.Mol Cell2022
36566234Force-tuned avidity of spike variant-ACE2 interactions viewed on the single-molecule level.Nat Commun2022
36456243Complexes++: Efficient and versatile coarse-grained simulations of protein complexes and their dense solutions.J Chem Phys2022
36374182Sublytic gasdermin-D pores captured in atomistic molecular simulations.Elife2022
35939819Transition Rates and Efficiency of Collective Variables from Time-Dependent Biased Simulations.J Phys Chem Lett2022
35868932Small ionic radii limit time step in Martini 3 molecular dynamics simulations.J Chem Phys2022
35985289Structure of a fully assembled tumor-specific T cell receptor ligated by pMHC.Cell2022
36122245In situ structural analysis reveals membrane shape transitions during autophagosome formation.Proc Natl Acad Sci U S A2022
36347673TriMem: A parallelized hybrid Monte Carlo software for efficient simulations of lipid membranes.J Chem Phys2022
35112738Disease-linked TDP-43 hyperphosphorylation suppresses TDP-43 condensation and aggregation.EMBO J2022
35264577Co-translational assembly orchestrates competing biogenesis pathways.Nat Commun2022
33437043Structural biology in the fight against COVID-19.Nat Struct Mol Biol2021
33793546Computational epitope map of SARS-CoV-2 spike protein.PLoS Comput Biol2021
33903171Dual nature of human ACE2 glycosylation in binding to SARS-CoV-2 spike.Proc Natl Acad Sci U S A2021
33591770FAM134B-RHD Protein Clustering Drives Spontaneous Budding of Asymmetric Membranes.J Phys Chem Lett2021
34977887Solution Structure and Conformational Flexibility of a Polyketide Synthase Module.JACS Au2021
34762489Nuclear pores dilate and constrict in cellulo.Science2021
34753818The structure of the <i>Aquifex aeolicus</i> MATE family multidrug resistance transporter and sequence comparisons suggest the existence of a new subfamily.Proc Natl Acad Sci U S A2021
34715013Structural basis of polyamine transport by human ATP13A2 (PARK9).Mol Cell2021
34475399The cryo-EM structure of the bd oxidase from M. tuberculosis reveals a unique structural framework and enables rational drug design to combat TB.Nat Commun2021
33941689Membrane fusion and drug delivery with carbon nanotube porins.Proc Natl Acad Sci U S A2021
34214498Famotidine inhibits toll-like receptor 3-mediated inflammatory signaling in SARS-CoV-2 infection.J Biol Chem2021
34241279Maximum likelihood estimates of diffusion coefficients from single-particle tracking experiments.J Chem Phys2021
34338405Role of FAM134 paralogues in endoplasmic reticulum remodeling, ER-phagy, and Collagen quality control.EMBO Rep2021
34196665Cysteine cross-linking in native membranes establishes the transmembrane architecture of Ire1.J Cell Biol2021
34255499Binding of SARS-CoV-2 Fusion Peptide to Host Endosome and Plasma Membrane.J Phys Chem B2021
33166471Atomic Force Microscopy-Based Force Spectroscopy and Multiparametric Imaging of Biomolecular and Cellular Systems.Chem Rev2021
33307683Simulation of FUS Protein Condensates with an Adapted Coarse-Grained Model.J Chem Theory Comput2021
32379446Quantifying Protein-Protein Interactions in Molecular Simulations.J Phys Chem B2020
31732457Regulation of Phosphoribosyl-Linked Serine Ubiquitination by Deubiquitinases DupA and DupB.Mol Cell2020
32029718Regulation of lipid saturation without sensing membrane fluidity.Nat Commun2020
31841344Ion Binding and Selectivity of the Na<sup>+</sup>/H<sup>+</sup> Antiporter MjNhaP1 from Experiment and Simulation.J Phys Chem B2020
31809054Hierarchical Ensembles of Intrinsically Disordered Proteins at Atomic Resolution in Molecular Dynamics Simulations.J Chem Theory Comput2020
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Collaborators

James H Hurley
University of California Berkeley
Co-authored papers 11
Ivan Dikic
Institute of Biochemistry II, Goethe University Frankfurt
Co-authored papers 7
Robert Ernst
Saarland University, Center for Molecular Signaling
Co-authored papers 6
Volker D??tsch
Institute for Biophysical Chemistry, Goethe-University
Co-authored papers 5
Martin Beck
Max Planck Institute of Biophysics
Co-authored papers 5
Thomas F Prisner
Institute of Physical and Theoretical Chemistry, Goethe University Frankfurt
Co-authored papers 4
Ad Bax
National Institutes of Health
Co-authored papers 3
Stephen K Burley
The State University of New Jersey
Co-authored papers 2
John L Markley
University of Wisconsin-Madison
Co-authored papers 2
Catherine L Lawson
Institute for Quantitative Biomedicine, State University of New Jersey
Co-authored papers 2
Claus A M Seidel
Heinrich-Heine University Dusseldorf
Co-authored papers 2
Paul D Adams
Lawrence Berkeley National Laboratory
Co-authored papers 2
Helen M Berman
The State University of New Jersey
Co-authored papers 2
Christoph Bock
CeMM Research Center for Molecular Medicine of the Austrian Academy of Sciences
Co-authored papers 2
Alexandre M J J Bonvin
Bijvoet Center for Biomolecular Research, Utrecht University
Co-authored papers 2
John D Westbrook
The State University of New Jersey
Co-authored papers 2
Ardan Patwardhan
European Bioinformatics Institute (EMBL-EBI)
Co-authored papers 2
Thomas E Ferrin
Department of Pharmaceutical Chemistry, University of California San Francisco
Co-authored papers 2
Sameer Velankar
European Bioinformatics Institute
Co-authored papers 2
Tudor I Oprea
Expert Systems Inc.
Co-authored papers 2
Frank DiMaio
University of Washington
Co-authored papers 2
Dmitri I Svergun
King's College London BHF Centre for Research Excellence
Co-authored papers 2
Jorge Silvio Gutkind
Moores Cancer Center, University of California San Diego
Co-authored papers 2
Jill Trewhella
The University of Sydney
Co-authored papers 2
Yang Shen
National Institute of Diabetes and Digestive and Kidney Diseases (NIDDK)
Co-authored papers 2
Gaetano T Montelione
Rensselaer Polytechnic Institute
Co-authored papers 2
Juri Rappsilber
Institute for Biotechnology, Technical University Berlin
Co-authored papers 2
Torsten Schwede
University of Basel
Co-authored papers 2
Andrej Sali (CM4AI)
University of California San Francisco
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Release 1.2