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Journal of Computational Chemistry|May 5, 2021
On the use of multiple-time-step algorithms to save computing effort in molecular dynamics simulations of proteinsMaria Pechlaner, Chris Oostenbrink, Wilfred F van GunsterenJournal of Computational Chemistry|April 25, 2012
Calculation of the relative free energy of oxidation of Azurin at pH 5 and pH 9Denise Steiner, Chris Oostenbrink, Wilfred F van GunsterenInternational Journal of Molecular Sciences|December 22, 2019
Molecular Conformations of Di-, Tri-, and Tetra-α-(2→8)-Linked Sialic Acid from NMR Spectroscopy and MD SimulationsAysegül Turupcu, Markus Blaukopf, Paul Kosma, et al.Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|August 3, 2005
Amine hydration: a united-atom force-field solutionChris Oostenbrink, Daniel Juchli, Wilfred F van GunsterenJournal of Molecular Catalysis. B, Enzymatic|August 6, 2013
Calculation of substrate binding affinities for a bacterial GH78 rhamnosidase through molecular dynamics simulationsMelanie Grandits, Herbert Michlmayr, Christoph Sygmund, et al.European Biophysics Journal : EBJ|February 8, 2014
On the use of one-step perturbation to investigate the dependence of NOE-derived atom-atom distance bound violations of peptides upon a variation of force-field parametersZhixiong Lin, Chris Oostenbrink, Wilfred F van GunsterenThe Journal of Physical Chemistry Letters|January 17, 2025
Alchemical Free-Energy Calculations at Quantum-Chemical PrecisionRadek Crha, Peter Poliak, Michael Gillhofer, et al.Journal of Chemical Theory and Computation|March 4, 2026
Evaluating the Impact of Phosphorylation on the Dynamics of the Tau Protein Proline-Rich RegionJohannes Stöckelmaier, Giovanni Polato, Jozef Hritz, et al.Physical Chemistry Chemical Physics : PCCP|January 31, 2014
On the thermodynamics of carbon nanotube single-file water loading: free energy, energy and entropy calculationsJose Antonio Garate, Tomas Perez-Acle, Chris OostenbrinkProteins|March 6, 2021
Exploring the structure and dynamics of proteins in soil organic matterMathias Gotsmy, Yerko Escalona, Chris Oostenbrink, et al.Pageof 24