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2020 – today
- 2023
[j13]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): 334-345 (2023)- [j12]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) - 2021
- [j11]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)
2010 – 2019
- 2017
- [j10]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: 163-171 (2017) - [j9]Themis Lazaridis, Gerhard Hummer:
Classical Molecular Dynamics with Mobile Protons. J. Chem. Inf. Model. 57(11): 2833-2845 (2017) - [j8]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) - 2014
- [j7]Christoph Dellago, Gerhard Hummer:
Computing Equilibrium Free Energies Using Non-Equilibrium Molecular Dynamics. Entropy 16(1): 41-61 (2014) - 2013
- [j6]Walter Thiel, Gerhard Hummer:
Nobel 2013 Chemistry: Methods for computational chemistry. Nat. 504(7478): 96-97 (2013) - [j5]Margaret E. Johnson, Gerhard Hummer:
Interface-Resolved Network of Protein-Protein Interactions. PLoS Comput. Biol. 9(5) (2013) - 2012
- [j4]Fangqiang Zhu, Gerhard Hummer:
Convergence and error estimation in free energy calculations using the weighted histogram analysis method. J. Comput. Chem. 33(4): 453-465 (2012) - [j3]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)
2000 – 2009
- 2009
- [j2]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): 1634-1641 (2009) - 2008
- [j1]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)
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