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Journal of Chemical Theory and Computation|August 20, 2020
The Effect of Using a Twin-Range Cutoff Scheme for Nonbonded Interactions: Implications for Force-Field Parametrization?Matthias Diem, Chris OostenbrinkProteins|November 28, 2012
Lipid A from lipopolysaccharide recognition: structure, dynamics and cooperativity by molecular dynamics simulationsJose Antonio Garate, Chris OostenbrinkJournal of Computational Chemistry|October 24, 2014
Molecular dynamics simulation of configurational ensembles compatible with experimental FRET efficiency data through a restraint on instantaneous FRET efficienciesMaria M Reif, Chris OostenbrinkJournal of Chemical Theory and Computation|November 21, 2015
Protein-Ligand Binding from Distancefield Distances and Hamiltonian Replica Exchange SimulationsAnita de Ruiter, Chris OostenbrinkJournal of Computational Chemistry|March 26, 2013
Free-energy differences between states with different conformational ensemblesJose Antonio Garate, Chris OostenbrinkJournal of Computational Chemistry|November 20, 2013
Net charge changes in the calculation of relative ligand-binding free energies via classical atomistic molecular dynamics simulationMaria M Reif, 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 OostenbrinkTheoretical Chemistry Accounts|June 23, 2015
Toward the correction of effective electrostatic forces in explicit-solvent molecular dynamics simulations: restraints on solvent-generated electrostatic potential and solvent polarizationMaria M Reif, Chris OostenbrinkJournal of Chemical Theory and Computation|August 6, 2016
Extended Thermodynamic Integration: Efficient Prediction of Lambda Derivatives at Nonsimulated PointsAnita de Ruiter, Chris OostenbrinkPageof 24