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Chemmedchem|October 24, 2009
Fast prediction of cytochrome P450 mediated drug metabolismPatrik Rydberg, Poongavanam Vasanthanathan, Chris Oostenbrink, et al.Glycobiology|February 17, 2024
Molecular cloning, characterisation and molecular modelling of two novel T-synthases from mollusc originMarilica Zemkollari, Chris Oostenbrink, Reingard Grabherr, et al.Journal of Computational Chemistry|September 17, 2016
Free-energy calculations of residue mutations in a tripeptide using various methods to overcome inefficient samplingMichael M H Graf, Manuela Maurer, Chris OostenbrinkInternational Journal of Molecular Sciences|January 24, 2014
Molecular dynamics simulation of the crystallizable fragment of IgG1-insights for the design of FcabsBalder Lai, Christoph Hasenhindl, Christian Obinger, et al.Journal of Chemical Information and Modeling|December 31, 2013
Entropic and enthalpic contributions to stereospecific ligand binding from enhanced sampling methodsBalder Lai, Gabor Nagy, Jose Antonio Garate, et al.Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|March 29, 2019
Structural Aspects of the O-glycosylation Linkage in Glycopeptides via MD Simulations and Comparison with NMR ExperimentsAysegül Turupcu, Matthias Diem, Lorna J Smith, et al.Molecules (Basel, Switzerland)|April 20, 2016
Calculation of Relative Binding Free Energy in the Water-Filled Active Site of Oligopeptide-Binding Protein AManuela Maurer, Stephanie B A de Beer, Chris OostenbrinkCurrent Drug Metabolism|January 3, 2012
Malleability and versatility of cytochrome P450 active sites studied by molecular simulationsChris Oostenbrink, Anita de Ruiter, Jozef Hritz, et al.Environmental Science & Technology|April 26, 2017
Molecular Dynamics Simulations of the Standard Leonardite Humic Acid: Microscopic Analysis of the Structure and DynamicsDrazen Petrov, Daniel Tunega, Martin H Gerzabek, et al.European Journal of Soil Science|October 12, 2020
Molecular modelling of sorption processes of a range of diverse small organic molecules in Leonardite humic acidDrazen Petrov, Daniel Tunega, Martin H Gerzabek, et al.Pageof 24