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Journal of Molecular Biology|April 23, 2021
The Persistent Question of Potassium Channel Permeation MechanismsAndrei Mironenko, Ulrich Zachariae, Bert L de Groot, et al.Biophysical Journal|July 21, 2010
Scrutinizing molecular mechanics force fields on the submicrosecond timescale with NMR dataOliver F Lange, David van der Spoel, Bert L de GrootScientific Reports|September 13, 2016
An Atomistic View of Amyloidogenic Self-assembly: Structure and Dynamics of Heterogeneous Conformational States in the Pre-nucleation PhaseDirk Matthes, Vytautas Gapsys, Julian T Brennecke, et al.Plos One|November 9, 2013
Development of scoring functions for antibody sequence assessment and optimizationDaniel SeeligerJournal of Chemical Theory and Computation|February 22, 2021
ATP-Magnesium Coordination: Protein Structure-Based Force Field Evaluation and CorrectionsFloris P Buelens, Hadas Leonov, Bert L de Groot, et al.Proceedings of the National Academy of Sciences of the United States of America|May 20, 2025
Effective polarization in potassium channel simulations: Ion conductance, occupancy, voltage response, and selectivityChenggong Hui, Reinier de Vries, Wojciech Kopec, et al.Journal of Chemical Theory and Computation|November 19, 2015
Quantifying Artifacts in Ewald Simulations of Inhomogeneous Systems with a Net ChargeJochen S Hub, Bert L de Groot, Helmut Grubmüller, et al.Journal of Chemical Theory and Computation|October 11, 2023
Accurately Predicting Protein pKa Values Using Nonequilibrium AlchemyCarter J Wilson, Mikko Karttunen, Bert L de Groot, et al.Biophysical Journal|May 23, 2002
Water permeation through gramicidin A: desformylation and the double helix: a molecular dynamics studyBert L de Groot, D Peter Tieleman, Peter Pohl, et al.Channels (Austin, Tex.)|December 23, 2025
One pocket to activate them all (?): Efforts on understanding the modulator pocket in K2P channelsEdward Mendez-Otalvaro, Wojciech Kopec, Marcus Schewe, et al.Pageof 22