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Journal of Molecular Recognition : JMR|August 29, 2019
Water in protein hydration and ligand recognitionManuela Maurer, Chris OostenbrinkJournal of Computational Chemistry|October 4, 2018
Comparison of free-energy methods using a tripeptide-water model systemManuela Maurer, Niels Hansen, Chris OostenbrinkJournal 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 OostenbrinkMolecules (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 OostenbrinkMethods in Molecular Biology (Clifton, N.J.)|December 21, 2011
Free energy calculations from one-step perturbationsChris OostenbrinkJournal of Computational Chemistry|September 12, 2008
Efficient free energy calculations on small molecule host-guest systems - a combined linear interaction energy/one-step perturbation approachChris OostenbrinkJournal of Computational Chemistry|October 7, 2020
The effect of different cutoff schemes in molecular simulations of proteinsMatthias Diem, Chris OostenbrinkJournal of Chemical Information and Modeling|December 4, 2015
Multiple Binding Poses in the Hydrophobic Cavity of Bee Odorant Binding Protein AmelOBP14Maria Pechlaner, Chris OostenbrinkThe Journal of Chemical Physics|December 7, 2007
Optimization of replica exchange molecular dynamics by fast mimickingJozef Hritz, Chris OostenbrinkBiophysical Journal|June 2, 2010
Improved ligand-protein binding affinity predictions using multiple binding modesEva Stjernschantz, Chris OostenbrinkPageof 24