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Journal 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 GrubmüllerPNAS Nexus|July 17, 2024
Selectivity filter mutations shift ion permeation mechanism in potassium channelsAndrei Mironenko, Bert L de Groot, Wojciech KopecThe Journal of Physical Chemistry Letters|March 24, 2021
One Plus One Makes Three: Triangular Coupling of Correlated Amino Acid MutationsMartin Werner, Vytautas Gapsys, Bert L de GrootJournal of Chemical Information and Modeling|October 30, 2025
Evaluation of the ABCG2 Charge Model in Protein-Ligand Binding Free-Energy CalculationsSudarshan Behera, Vytautas Gapsys, Bert L de GrootACS Central Science|January 17, 2019
Accurate Estimation of Ligand Binding Affinity Changes upon Protein MutationMatteo Aldeghi, Vytautas Gapsys, Bert L de GrootACS Central Science|September 5, 2019
Predicting Kinase Inhibitor Resistance: Physics-Based and Data-Driven ApproachesMatteo Aldeghi, Vytautas Gapsys, Bert L de GrootJournal of Molecular Biology|February 14, 2012
Driving forces and structural determinants of steric zipper peptide oligomer formation elucidated by atomistic simulationsDirk Matthes, Vytautas Gapsys, Bert L de GrootMethods in Molecular Biology (Clifton, N.J.)|October 10, 2018
Accurate Calculation of Free Energy Changes upon Amino Acid MutationMatteo Aldeghi, Bert L de Groot, Vytautas GapsysPlos Computational Biology|May 10, 2013
Probing the energy landscape of activation gating of the bacterial potassium channel KcsATobias Linder, Bert L de Groot, Anna Stary-WeinzingerPageof 22