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Journal of Biomolecular NMR|October 5, 2015
Improved validation of IDP ensembles by one-bond Cα-Hα scalar couplingsVytautas Gapsys, Raghavendran L Narayanan, ShengQi Xiang, et al.Methods in Molecular Biology (Clifton, N.J.)|October 22, 2014
Calculation of binding free energiesVytautas Gapsys, Servaas Michielssens, Jan Henning Peters, et al.Biophysical Journal|December 19, 2018
GROmaρs: A GROMACS-Based Toolset to Analyze Density Maps Derived from Molecular Dynamics SimulationsRodolfo Briones, Christian Blau, Carsten Kutzner, et al.Biophysical Journal|April 14, 2017
Gating Charge Calculations by Computational Electrophysiology SimulationsJan-Philipp Machtens, Rodolfo Briones, Claudia Alleva, et al.Scientific Reports|December 7, 2017
Author Correction: Temperature dependence of protein-water interactions in a gated yeast aquaporinCamilo Aponte-Santamaría, Gerhard Fischer, Petra Båth, et al.European Biophysics Journal : EBJ|June 29, 2007
Acyl chain order parameter profiles in phospholipid bilayers: computation from molecular dynamics simulations and comparison with 2H NMR experimentsLouic S Vermeer, Bert L de Groot, Valérie Réat, et al.Journal of Chemical Theory and Computation|January 2, 2024
Guidelines for Free-Energy Calculations Involving Charge ChangesDrazen Petrov, Jan Walther Perthold, Chris Oostenbrink, et al.Scientific Reports|June 23, 2017
Temperature dependence of protein-water interactions in a gated yeast aquaporinCamilo Aponte-Santamaría, Gerhard Fischer, Petra Båth, et al.Biophysical Journal|May 13, 2008
Kinetics, statistics, and energetics of lipid membrane electroporation studied by molecular dynamics simulationsRainer A Böckmann, Bert L de Groot, Sergej Kakorin, et al.Scientific Reports|May 4, 2018
In silico assessment of the conduction mechanism of the Ryanodine Receptor 1 reveals previously unknown exit pathwaysLeonard P Heinz, Wojciech Kopec, Bert L de Groot, et al.Pageof 28