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Journal of Chemical Theory and Computation|March 13, 2020
Could Microwave Irradiation Cause Misfolding of Peptides?Martin Gladovic, Chris Oostenbrink, Urban BrenMolecules (Basel, Switzerland)|June 13, 2025
Umbrella Refinement of Ensembles-An Alternative View of Ensemble OptimizationJohannes Stöckelmaier, Tümay Capraz, Chris OostenbrinkBMC Bioinformatics|December 14, 2020
Molecular dynamics of the immune checkpoint programmed cell death protein I, PD-1: conformational changes of the BC-loop upon binding of the ligand PD-L1 and the monoclonal antibody nivolumabBernhard Roither, Chris Oostenbrink, Wolfgang SchreinerProteins|December 30, 2003
Free energies of binding of polychlorinated biphenyls to the estrogen receptor from a single simulationChris Oostenbrink, Wilfred F van GunsterenEuropean Biophysics Journal : EBJ|June 19, 2010
Calculations of binding affinity between C8-substituted GTP analogs and the bacterial cell-division protein FtsZJozef Hritz, Tilman Läppchen, Chris OostenbrinkProceedings of the National Academy of Sciences of the United States of America|March 16, 2005
Free energies of ligand binding for structurally diverse compoundsChris Oostenbrink, Wilfred F van GunsterenJournal of Chemical Information and Modeling|November 11, 2009
Role of water in molecular docking simulations of cytochrome P450 2D6Rita Santos, Jozef Hritz, Chris OostenbrinkPlos One|July 21, 2017
Exploring the binding pathways of the 14-3-3ζ protein: Structural and free-energy profiles revealed by Hamiltonian replica exchange molecular dynamics with distancefield distance restraintsGabor Nagy, Chris Oostenbrink, Jozef HritzJournal of Chemical Information and Modeling|August 13, 2024
Methods for Classical-Mechanical Molecular Simulation in Chemistry: Achievements, Limitations, PerspectivesWilfred F van Gunsteren, Chris OostenbrinkJournal of Computational Chemistry|January 22, 2013
Comparison of thermodynamic integration and Bennett acceptance ratio for calculating relative protein-ligand binding free energiesAnita de Ruiter, Stefan Boresch, Chris OostenbrinkPageof 24