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Journal of Chemical Theory and Computation|August 6, 2016
Extended Thermodynamic Integration: Efficient Prediction of Lambda Derivatives at Nonsimulated PointsAnita de Ruiter, Chris OostenbrinkCurrent Opinion in Chemical Biology|June 21, 2011
Free energy calculations of protein-ligand interactionsAnita de Ruiter, Chris OostenbrinkJournal of Chemical Theory and Computation|November 21, 2015
Protein-Ligand Binding from Distancefield Distances and Hamiltonian Replica Exchange SimulationsAnita de Ruiter, Chris OostenbrinkCurrent Opinion in Structural Biology|February 24, 2020
Advances in the calculation of binding free energiesAnita de Ruiter, Chris OostenbrinkJournal of Chemical Theory and Computation|November 24, 2015
Efficient and Accurate Free Energy Calculations on Trypsin InhibitorsAnita de Ruiter, 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 OostenbrinkJournal of Chemical Theory and Computation|December 22, 2020
Optimization of Alchemical Pathways Using Extended Thermodynamic IntegrationAnita de Ruiter, Drazen Petrov, Chris OostenbrinkJournal of Medicinal Chemistry|November 13, 2008
Impact of plasticity and flexibility on docking results for cytochrome P450 2D6: a combined approach of molecular dynamics and ligand dockingJozef Hritz, Anita de Ruiter, 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.Journal of Chemical Theory and Computation|May 11, 2023
Accelerated Enveloping Distribution Sampling to Probe the Presence of Water MoleculesOriol Gracia Carmona, Michael Gillhofer, Lisa Tomasiak, et al.Pageof 24