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Journal of Chemical Theory and Computation|September 13, 2017
Simulation of Reversible Protein-Protein Binding and Calculation of Binding Free Energies Using Perturbed Distance RestraintsJan Walther Perthold, Chris OostenbrinkJournal of Chemical Information and Modeling|December 3, 2019
GroScore: Accurate Scoring of Protein-Protein Binding Poses Using Explicit-Solvent Free-Energy CalculationsJan Walther Perthold, Chris OostenbrinkThe Journal of Physical Chemistry. B|April 20, 2018
Accelerated Enveloping Distribution Sampling: Enabling Sampling of Multiple End States while Preserving Local Energy MinimaJan Walther Perthold, Chris OostenbrinkJournal of Chemical Information and Modeling|June 4, 2020
Toward Automated Free Energy Calculation with Accelerated Enveloping Distribution Sampling (A-EDS)Jan Walther Perthold, Dražen Petrov, Chris OostenbrinkJournal of Chemical Theory and Computation|November 2, 2020
Charge-Changing Perturbations and Path Sampling via Classical Molecular Dynamic Simulations of Simple Guest-Host SystemsChristoph Öhlknecht, Jan Walther Perthold, Bettina Lier, et al.Journal of Chemical Theory and Computation|January 2, 2024
Guidelines for Free-Energy Calculations Involving Charge ChangesDrazen Petrov, Jan Walther Perthold, Chris Oostenbrink, et al.Methods 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 OostenbrinkPlos One|April 10, 2018
An antibody with Fab-constant domains exchanged for a pair of CH3 domainsGordana Wozniak-Knopp, Gerhard Stadlmayr, Jan Walther Perthold, et al.Protein Engineering, Design & Selection : PEDS|October 6, 2017
Designing Fcabs: well-expressed and stable high affinity antigen-binding Fc fragmentsGordana Wozniak-Knopp, Gerhard Stadlmayr, Jan Walther Perthold, et al.Pageof 24