Jan Walther Perthold

GroScore: Accurate Scoring of Protein-Protein Binding Poses Using Explicit-Solvent Free-Energy Calculations

Chris Oostenbrink, Jan Walther Perthold, C. Oostenbrink, 2019, J. Chem. Inf. Model..

Toward Automated Free Energy Calculation with Accelerated Enveloping Distribution Sampling (A-EDS)

Chris Oostenbrink, Drazen Petrov, Jan Walther Perthold, 2020, J. Chem. Inf. Model..

Accelerated Enveloping Distribution Sampling: Enabling Sampling of Multiple End States while Preserving Local Energy Minima.

Chris Oostenbrink, Jan Walther Perthold, C. Oostenbrink, 2018, The journal of physical chemistry. B.

Simulation of Reversible Protein–Protein Binding and Calculation of Binding Free Energies Using Perturbed Distance Restraints

Chris Oostenbrink, Jan Walther Perthold, C. Oostenbrink, 2017, Journal of chemical theory and computation.