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Journal of Computer-Aided Molecular Design|April 20, 2010
Ligand docking and binding site analysis with PyMOL and Autodock/VinaDaniel Seeliger, Bert L de GrootBiophysical Journal|May 21, 2010
Protein thermostability calculations using alchemical free energy simulationsDaniel Seeliger, Bert L de GrootMethods in Molecular Biology (Clifton, N.J.)|May 1, 2008
Normal modes and essential dynamicsSteven Hayward, Bert L de GrootEuropean Biophysics Journal : EBJ|December 23, 2020
Lipid-protein forces predict conformational changes in a mechanosensitive channelCsaba Daday, Bert L de GrootJournal of Chemical Theory and Computation|November 11, 2017
Alchemical Free Energy Calculations for Nucleotide Mutations in Protein-DNA ComplexesVytautas Gapsys, Bert L de GrootCurrent Opinion in Structural Biology|April 20, 2005
The dynamics and energetics of water permeation and proton exclusion in aquaporinsBert L de Groot, Helmut GrubmüllerPlos Computational Biology|January 13, 2010
Conformational transitions upon ligand binding: holo-structure prediction from apo conformationsDaniel Seeliger, Bert L de GrootBiophysical Journal|July 22, 2009
Secondary structure propensities in peptide folding simulations: a systematic comparison of molecular mechanics interaction schemesDirk Matthes, Bert L de GrootProteins|May 19, 2007
Atomic contacts in protein structures. A detailed analysis of atomic radii, packing, and overlapsDaniel Seeliger, Bert L de GrootElife|June 21, 2019
Comment on 'Valid molecular dynamics simulations of human hemoglobin require a surprisingly large box size'Vytautas Gapsys, Bert L de GrootPageof 28