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Nature Communications|November 28, 2019
Molecular mechanism of a potassium channel gating through activation gate-selectivity filter couplingWojciech Kopec, Brad S Rothberg, Bert L de GrootBiophysical Journal|August 20, 2024
Effect of two activators on the gating of a K2P channelEdward Mendez-Otalvaro, Wojciech Kopec, Bert L de GrootHandbook of Experimental Pharmacology|December 20, 2008
Dynamics and energetics of permeation through aquaporins. What do we learn from molecular dynamics simulations?Jochen S Hub, Helmut Grubmüller, Bert L de GrootFrontiers in Physiology|March 18, 2017
Localization and Ordering of Lipids Around Aquaporin-0: Protein and Lipid Mobility EffectsRodolfo Briones, Camilo Aponte-Santamaría, Bert L de GrootJournal of Chemical Theory and Computation|April 2, 2025
Improving pKa Predictions with Reparameterized Force Fields and Free Energy CalculationsCarter J Wilson, Vytautas Gapsys, Bert L de GrootJournal of Computational Chemistry|March 12, 2024
Resolving coupled pH titrations using alchemical free energy calculationsCarter J Wilson, Bert L de Groot, Vytautas GapsysAngewandte Chemie (International Ed. in English)|August 14, 2014
A designed conformational shift to control protein binding specificityServaas Michielssens, Jan Henning Peters, David Ban, et al.Structure (London, England : 1993)|May 9, 2008
The molecular mechanism of toxin-induced conformational changes in a potassium channel: relation to C-type inactivationUlrich Zachariae, Robert Schneider, Phanindra Velisetty, et al.Plos Computational Biology|May 14, 2010
Spontaneous quaternary and tertiary T-R transitions of human hemoglobin in molecular dynamics simulationJochen S Hub, Marcus B Kubitzki, Bert L de GrootJournal of Molecular Biology|October 8, 2003
The mechanism of proton exclusion in the aquaporin-1 water channelBert L de Groot, Tomaso Frigato, Volkhard Helms, et al.Pageof 22