Gerrit Groenhof

Publication Activity (10 Years)

Years Active: 2005-2024
Publications (10 Years): 2

Top Topics

Computationally Expensive

Molecular Dynamics Simulations

Top Venues

J. Comput. Chem.

J. Chem. Inf. Model.

Publications

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) (2024)
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) (2016)
Tomás Kubar, Kai Welke, Gerrit Groenhof
New QM/MM implementation of the DFTB3 method in the gromacs package. J. Comput. Chem. 36 (26) (2015)
Maarten G. Wolf, Gerrit Groenhof
Explicit proton transfer in classical molecular dynamics simulations. J. Comput. Chem. 35 (8) (2014)
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) (2012)
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) (2010)
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)
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) (2005)