Daan P. Geerke

The GROMOS software for biomolecular simulation: GROMOS05

Markus Christen, Philippe H. Hünenberger, Dirk Bakowies et al. · Journal of Computational Chemistry · 2005 · 653 citations · Full text

Natural Sciences, Biophysics, Chemistry +13

Automated Topology Builder Version 3.0: Prediction of Solvation Free Enthalpies in Water and Hexane

Martin Stroet, Bertrand Caron, Koen M. Visscher et al. · Journal of Chemical Theory and Computation · 2018 · 534 citations · Full text

Natural Sciences, Chemistry, Physics +17

GROMOS++ Software for the Analysis of Biomolecular Simulation Trajectories

Andreas P. Eichenberger, Jane R. Allison, Jožica Dolenc et al. · Journal of Chemical Theory and Computation · 2011 · 217 citations

Natural Sciences, Biophysics, Chemistry +15

Impaired bortezomib binding to mutant β5 subunit of the proteasome is the underlying basis for bortezomib resistance in leukemia cells

N. Franke, Denise Niewerth, Yehuda G. Assaraf et al. · Leukemia · 2011 · 172 citations

Medicine, Molecular Biology, Oncology +12

Charge Group Partitioning in Biomolecular Simulation

Stefan Canzar, Mohammed El-Kebir, René Pool et al. · Journal of Computational Biology · 2013 · 162 citations · Full text

Natural Sciences, Chemistry, Biomolecular Modeling +11