Gerhard Hummer

Publication Activity (10 Years)

Years Active: 2008-2023
Publications (10 Years): 6

Top Topics

Molecular Dynamics

Top Venues

PLoS Comput. Biol.

Comput. Phys. Commun.

J. Chem. Inf. Model.

Nat. Comput. Sci.

Publications

Hendrik Jung, Roberto Covino, A. Arjun, Christian Leitold, Christoph Dellago, Peter G. Bolhuis, Gerhard Hummer
Machine-guided path sampling to discover mechanisms of molecular self-organization. Nat. Comput. Sci. 3 (4) (2023)
Sören von Bülow, Mateusz Sikora, Florian E. C. Blanc, Roberto Covino, Gerhard Hummer
Antibody accessibility determines location of spike surface mutations in SARS-CoV-2 variants. PLoS Comput. Biol. 19 (1) (2023)
Mateusz Sikora, Sören von Bülow, Florian E. C. Blanc, Michael Gecht, Roberto Covino, Gerhard Hummer
Computational epitope map of SARS-CoV-2 spike protein. PLoS Comput. Biol. 17 (4) (2021)
Pilar Cossio, David Rohr, Fabio Baruffa, Markus Rampp, Volker Lindenstruth, Gerhard Hummer
BioEM: GPU-accelerated computing of Bayesian inference of electron microscopy images. Comput. Phys. Commun. 210 (2017)
Amir Houshang Bahrami, Mary G. Lin, Xuefeng Ren, James H. Hurley, Gerhard Hummer
Scaffolding the cup-shaped double membrane in autophagy. PLoS Comput. Biol. 13 (10) (2017)
Themis Lazaridis, Gerhard Hummer
Classical Molecular Dynamics with Mobile Protons. J. Chem. Inf. Model. 57 (11) (2017)
Christoph Dellago, Gerhard Hummer
Computing Equilibrium Free Energies Using Non-Equilibrium Molecular Dynamics. Entropy 16 (1) (2014)
Margaret E. Johnson, Gerhard Hummer
Interface-Resolved Network of Protein-Protein Interactions. PLoS Comput. Biol. 9 (5) (2013)
Walter Thiel, Gerhard Hummer
Nobel 2013 Chemistry: Methods for computational chemistry. Nat. 504 (7478) (2013)
Bartosz Rózycki, Evzen Boura, James H. Hurley, Gerhard Hummer
Membrane-Elasticity Model of Coatless Vesicle Budding Induced by ESCRT Complexes. PLoS Comput. Biol. 8 (10) (2012)
Fangqiang Zhu, Gerhard Hummer
Convergence and error estimation in free energy calculations using the weighted histogram analysis method. J. Comput. Chem. 33 (4) (2012)
Edina Rosta, H. Lee Woodcock III, Bernard R. Brooks, Gerhard Hummer
Artificial reaction coordinate "tunneling" in free-energy calculations: The catalytic reaction of RNase H. J. Comput. Chem. 30 (11) (2009)
Adrian Gustavo Turjanski, J. Silvio Gutkind, Robert B. Best, Gerhard Hummer
Binding-Induced Folding of a Natively Unstructured Transcription Factor. PLoS Comput. Biol. 4 (4) (2008)