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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|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.The Journal of Physical Chemistry Letters|November 18, 2015
Quantifying Lateral Inhomogeneity of Cholesterol-Containing MembranesCelsa Díaz-Tejada, Igor Ariz-Extreme, Neha Awasthi, et al.ACS Central Science|October 3, 2018
Rationalizing Steroid Interactions with Lipid Membranes: Conformations, Partitioning, and KineticsKalina Atkovska, Johannes Klingler, Johannes Oberwinkler, et al.Angewandte Chemie (International Ed. in English)|March 14, 2018
Temperature-Dependent Atomic Models of Detergent Micelles Refined against Small-Angle X-Ray Scattering DataMiloš T Ivanović, Linda K Bruetzel, Jan Lipfert, et al.Scientific Reports|March 4, 2016
The Lipid Bilayer Provides a Site for Cortisone Crystallization at High Cortisone ConcentrationsRichard J Alsop, Adree Khondker, Jochen S Hub, et al.Biophysical Journal|December 24, 2013
Local partition coefficients govern solute permeability of cholesterol-containing membranesFlorian Zocher, David van der Spoel, Peter Pohl, et al.Computational and Structural Biotechnology Journal|March 21, 2024
Phosphopeptide binding to the N-SH2 domain of tyrosine phosphatase SHP2 correlates with the unzipping of its central β-sheetMichelangelo Marasco, John Kirkpatrick, Teresa Carlomagno, et al.Pageof 28