Gerrit Groenhof

GROMACS: Fast, flexible, and free

David van der Spoel, Erik Lindahl, Berk Hess et al. · Journal of Computational Chemistry · 2005 · 19.1K citations

Natural Sciences, Chemistry, Physics +17

Femtosecond structural dynamics drives the trans/cis isomerization in photoactive yellow protein

Kanupriya Pande, C. Hutchison, Gerrit Groenhof et al. · Science · 2016 · 451 citations · Full text

Natural Sciences, Biochemistry, Biophysics +14

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

Maarten G. Wolf, Martin Hoefling, Camilo Aponte‐Santamaría et al. · Journal of Computational Chemistry · 2010 · 383 citations · Full text

Natural Sciences, Biochemistry, Biophysics +17

Photoactivation of the Photoactive Yellow Protein:  Why Photon Absorption Triggers a Trans-to-Cis Isomerization of the Chromophore in the Protein

Gerrit Groenhof, Mathieu Bouxin-Cademartory, Berk Hess et al. · Journal of the American Chemical Society · 2004 · 287 citations

Natural Sciences, Biochemistry, Biophysics +14

Quantifying Artifacts in Ewald Simulations of Inhomogeneous Systems with a Net Charge

Jochen S. Hub, Bert L. de Groot, Helmut Grubmüller et al. · Journal of Chemical Theory and Computation · 2013 · 245 citations · Full text

Natural Sciences, Biophysics, Chemistry +15