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Gerrit Groenhof
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2020 – today
- 2024
- [j8]Anton Jansen, Noora Aho, Gerrit Groenhof, Pavel Buslaev, Berk Hess:
phbuilder: A Tool for Efficiently Setting up Constant pH Molecular Dynamics Simulations in GROMACS. J. Chem. Inf. Model. 64(3): 567-574 (2024) - 2020
- [p1]Bartosz Kohnke, Thomas R. Ullmann, Andreas Beckmann, Ivo Kabadshow, David Haensel, Laura Morgenstern, Plamen Dobrev, Gerrit Groenhof, Carsten Kutzner, Berk Hess, Holger Dachsel, Helmut Grubmüller:
GROMEX: A Scalable and Versatile Fast Multipole Method for Biomolecular Simulation. Software for Exascale Computing 2020: 517-543
2010 – 2019
- 2016
- [j7]Maarten G. Wolf, Martin Hoefling, Camilo Aponte-Santamaría, Helmut Grubmüller, Gerrit Groenhof:
Corrigendum: g_membed: Efficient insertion of a membrane protein into an equilibrated lipid bilayer with minimal perturbation. J. Comput. Chem. 37(21): 2038 (2016) - 2015
- [j6]Tomás Kubar, Kai Welke, Gerrit Groenhof:
New QM/MM implementation of the DFTB3 method in the gromacs package. J. Comput. Chem. 36(26): 1978-1989 (2015) - 2014
- [j5]Maarten G. Wolf, Gerrit Groenhof:
Explicit proton transfer in classical molecular dynamics simulations. J. Comput. Chem. 35(8): 657-671 (2014) - 2012
- [j4]Maarten G. Wolf, Gerrit Groenhof:
Evaluating nonpolarizable nucleic acid force fields: A systematic comparison of the nucleobases hydration free energies and chloroform-to-water partition coefficients. J. Comput. Chem. 33(28): 2225-2232 (2012) - 2010
- [j3]Maarten G. Wolf, Martin Hoefling, Camilo Aponte-Santamaría, Helmut Grubmüller, Gerrit Groenhof:
g_membed: Efficient insertion of a membrane protein into an equilibrated lipid bilayer with minimal perturbation. J. Comput. Chem. 31(11): 2169-2174 (2010)
2000 – 2009
- 2008
- [j2]Lars V. Schäfer, Gerrit Groenhof, Martial Boggio-Pasqua, Michael A. Robb, Helmut Grubmüller:
Chromophore Protonation State Controls Photoswitching of the Fluoroprotein asFP595. PLoS Comput. Biol. 4(3) (2008) - 2005
- [j1]David van der Spoel, Erik Lindahl, Berk Hess, Gerrit Groenhof, Alan E. Mark, Herman J. C. Berendsen:
GROMACS: Fast, flexible, and free. J. Comput. Chem. 26(16): 1701-1718 (2005)
Coauthor Index
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