Jan Walther Perthold (Jan W Perthold)

Scopus Author ID Loop profile ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 10

Top Topics

Molecular Dynamics Simulations

Protein Protein

Top Venues

Journal of chemical theory and computation

Journal of chemical information and modeling

The journal of physical chemistry. B

This page only lists publications with an associated author ORCID identifier.

Publications

Dražen Petrov, Jan Walther Perthold, Chris Oostenbrink, Bert L de Groot, Vytautas Gapsys
Guidelines for Free-Energy Calculations Involving Charge Changes. Journal of chemical theory and computation (2024)
Dražen Petrov, Jan Walther Perthold, Chris Oostenbrink, Bert L de Groot, Vytautas Gapsys
Guidelines for Free-Energy Calculations Involving Charge Changes. Journal of chemical theory and computation 20 (2) (2024)
Dražen Petrov, Jan Walther Perthold, Chris Oostenbrink, Bert L de Groot, Vytautas Gapsys
Guidelines for Free-Energy Calculations Involving Charge Changes. Journal of chemical theory and computation 20 (2) (2024)
Dražen Petrov, Jan Walther Perthold, Chris Oostenbrink, Bert L de Groot, Vytautas Gapsys
Guidelines for Free-Energy Calculations Involving Charge Changes. Journal of chemical theory and computation 20 (2) (2024)
Tümay Capraz, Nikolaus F Kienzl, Elisabeth Lobner, Jan Walther Perthold, Esther Föderl-Höbenreich, Clemens Grünwald-Gruber, Daniel Maresch, Vanessa M Monteil, Janine Niederhöfer, Gerald Wirnsberger, Ali Mirazimi, Kurt Zatloukal, Lukas Mach, Josef M Penninger, Chris Oostenbrink, Johannes Stadlmann
Structure-guided glyco-engineering of ACE2 for improved potency as soluble SARS-CoV-2 decoy receptor. eLife 10 (2021)
Jan Walther Perthold, Dražen Petrov, Chris Oostenbrink
Toward Automated Free Energy Calculation with Accelerated Enveloping Distribution Sampling (A-EDS). Journal of chemical information and modeling 60 (11) (2020)
Christoph Öhlknecht, Jan Walther Perthold, Bettina Lier, Chris Oostenbrink
Charge-Changing Perturbations and Path Sampling via Classical Molecular Dynamic Simulations of Simple Guest-Host Systems. Journal of chemical theory and computation 16 (12) (2020)
Jan Walther Perthold, Chris Oostenbrink
GroScore: Accurate Scoring of Protein-Protein Binding Poses Using Explicit-Solvent Free-Energy Calculations. Journal of chemical information and modeling 59 (12) (2019)
Jan Walther Perthold, Chris Oostenbrink
Accelerated Enveloping Distribution Sampling: Enabling Sampling of Multiple End States while Preserving Local Energy Minima. The journal of physical chemistry. B 122 (19) (2018)
Jan Walther Perthold, Chris Oostenbrink
Simulation of Reversible Protein-Protein Binding and Calculation of Binding Free Energies Using Perturbed Distance Restraints. Journal of chemical theory and computation 13 (11) (2017)