Gerrit Groenhof

According to our database, Gerrit Groenhof authored at least 9 papers between 2005 and 2024.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2024

phbuilder: A Tool for Efficiently Setting up Constant pH Molecular Dynamics Simulations in GROMACS.

Anton Jansen, Noora Aho, Gerrit Groenhof, Pavel Buslaev, Berk Hess

J. Chem. Inf. Model., 2024

2020

GROMEX: A Scalable and Versatile Fast Multipole Method for Biomolecular Simulation.

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

Proceedings of the Software for Exascale Computing - SPPEXA 2016-2019, 2020

2016

Corrigendum: g_membed: Efficient insertion of a membrane protein into an equilibrated lipid bilayer with minimal perturbation.

Maarten G. Wolf, Martin Hoefling, Camilo Aponte-Santamaría, Helmut Grubmüller, Gerrit Groenhof

J. Comput. Chem., 2016

2015

New QM/MM implementation of the DFTB3 method in the gromacs package.

Tomás Kubar, Kai Welke, Gerrit Groenhof

J. Comput. Chem., 2015

2014

Explicit proton transfer in classical molecular dynamics simulations.

Maarten G. Wolf, Gerrit Groenhof

J. Comput. Chem., 2014

2012

Evaluating nonpolarizable nucleic acid force fields: A systematic comparison of the nucleobases hydration free energies and chloroform-to-water partition coefficients.

Maarten G. Wolf, Gerrit Groenhof

J. Comput. Chem., 2012

2010

g_membed: Efficient insertion of a membrane protein into an equilibrated lipid bilayer with minimal perturbation.

Maarten G. Wolf, Martin Hoefling, Camilo Aponte-Santamaría, Helmut Grubmüller, Gerrit Groenhof

J. Comput. Chem., 2010

2008

Chromophore Protonation State Controls Photoswitching of the Fluoroprotein asFP595.

Lars V. Schäfer, Gerrit Groenhof, Martial Boggio-Pasqua, Michael A. Robb, Helmut Grubmüller

PLoS Comput. Biol., 2008

2005

GROMACS: Fast, flexible, and free.

David van der Spoel, Erik Lindahl, Berk Hess, Gerrit Groenhof, Alan E. Mark, Herman J. C. Berendsen

J. Comput. Chem., 2005