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Publications by Bert L. de Groot

Direct Knock-On of Desolvated Ions Governs Strict Ion Selectivity in K+ Channels

Nature Chemistry

Chemical Engineering

English

Mechanistic Insights Into Microsecond Time-Scale Motion of Solid Proteins Using Complementary 15N and 1H Relaxation Dispersion Techniques

Journal of the American Chemical Society

Surface Chemistry

English

Large Scale Relative Protein Ligand Binding Affinities Using Non-Equilibrium Alchemy

Chemical Science

English

Conformational Transitions Upon Ligand Binding: Holo Structure Prediction From Apo Conformations

Biophysical Journal

English

GROmaρs: A GROMACS-based Toolset to Analyse Density Maps Derived From Molecular Dynamics Simulations

Biophysical Journal

English

Linear-Scaling Soft Core Scheme for Alchemical Free Energy Calculations

Biophysical Journal

English

Molecular Recognition Through Concerted Ubiquitin Backbone and Side Chain Motion Determined From NMR and MD Simulations

Biophysical Journal

English

Mechanism of Mechanosensitive Gating of the TREK-2 Potassium Channel

Biophysical Journal

English

Thermodynamic Coupling - Free Energy Calculations of Correlated Amino Acid Mutations

Biophysical Journal

English

Molecular Simulations of Ion Permeation, Gating and Selectivity in K+ Channels

Biophysical Journal

English