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Proceedings of the National Academy of Sciences of the United States of America|September 8, 2016
Ultrafast anisotropic protein quake propagation after CO photodissociation in myoglobinLevin U L Brinkmann, Jochen S HubThe Journal of Chemical Physics|September 17, 2015
Anisotropic time-resolved solution X-ray scattering patterns from explicit-solvent molecular dynamicsLevin U L Brinkmann, Jochen S HubThe Journal of Chemical Physics|October 27, 2016
Accelerating potential of mean force calculations for lipid membrane permeation: System size, reaction coordinate, solute-solute distance, and cutoffsNaomi Nitschke, Kalina Atkovska, Jochen S HubBiophysical Journal|May 21, 2015
Binding affinities controlled by shifting conformational equilibria: opportunities and limitationsServaas Michielssens, Bert L de Groot, Helmut GrubmüllerBiophysical Journal|March 21, 2007
Invariance of single-file water mobility in gramicidin-like peptidic pores as function of pore lengthGuillem Portella, Peter Pohl, Bert L de GrootJournal of Computer-Aided Molecular Design|October 24, 2013
Computational analysis of local membrane propertiesVytautas Gapsys, Bert L de Groot, Rodolfo BrionesJournal of Molecular Biology|December 25, 2002
The structure of the aquaporin-1 water channel: a comparison between cryo-electron microscopy and X-ray crystallographyBert L de Groot, Andreas Engel, Helmut GrubmüllerStructure (London, England : 1993)|November 14, 2007
Geometry-based sampling of conformational transitions in proteinsDaniel Seeliger, Jürgen Haas, Bert L de GrootJournal of Chemical Theory and Computation|November 22, 2015
New Soft-Core Potential Function for Molecular Dynamics Based Alchemical Free Energy CalculationsVytautas Gapsys, Daniel Seeliger, Bert L de GrootPNAS Nexus|July 17, 2024
Selectivity filter mutations shift ion permeation mechanism in potassium channelsAndrei Mironenko, Bert L de Groot, Wojciech KopecPageof 28