Gerhard Hummer - researchr alias

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Viewing Publication 1 - 13 from 13

2023

Machine-guided path sampling to discover mechanisms of molecular self-organizationHendrik Jung, Roberto Covino, A. Arjun, Christian Leitold, Christoph Dellago, Peter G. Bolhuis, Gerhard Hummer. ncs, 3(4):334-345, 2023. [doi]

Antibody accessibility determines location of spike surface mutations in SARS-CoV-2 variantsSören von Bülow, Mateusz Sikora, Florian E. C. Blanc, Roberto Covino, Gerhard Hummer. ploscb, 19(1), January 2023. [doi]

2021

Computational epitope map of SARS-CoV-2 spike proteinMateusz Sikora, Sören von Bülow, Florian E. C. Blanc, Michael Gecht, Roberto Covino, Gerhard Hummer. ploscb, 17(4), 2021. [doi]

2017

2014

Computing Equilibrium Free Energies Using Non-Equilibrium Molecular DynamicsChristoph Dellago, Gerhard Hummer. entropy, 16(1):41-61, 2014. [doi]

2013

Interface-Resolved Network of Protein-Protein InteractionsMargaret E. Johnson, Gerhard Hummer. ploscb, 9(5), 2013. [doi]

Nobel 2013 Chemistry: Methods for computational chemistryWalter Thiel, Gerhard Hummer. nature, 504(7478):96-97, 2013. [doi]

2012

Membrane-Elasticity Model of Coatless Vesicle Budding Induced by ESCRT ComplexesBartosz Rózycki, Evzen Boura, James H. Hurley, Gerhard Hummer. ploscb, 8(10), 2012. [doi]

Convergence and error estimation in free energy calculations using the weighted histogram analysis methodFangqiang Zhu, Gerhard Hummer. jcc, 33(4):453-465, 2012. [doi]

2009

Artificial reaction coordinate tunneling in free-energy calculations: The catalytic reaction of RNase HEdina Rosta, H. Lee Woodcock III, Bernard R. Brooks, Gerhard Hummer. jcc, 30(11):1634-1641, 2009. [doi]

2008

Binding-Induced Folding of a Natively Unstructured Transcription FactorAdrian Gustavo Turjanski, J. Silvio Gutkind, Robert B. Best, Gerhard Hummer. ploscb, 4(4), 2008. [doi]

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