Jan Walther Perthold

8PUBLICATIONS
17CO-AUTHORS
Bioinformatic methods developmentStatistical mechanics in chemistryChemical engineering designBiomolecular modelling and design
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Publications (8)

|Oct 26, 2026
GroScore: Automated Scoring of Protein-Protein Interactions Using Bidirectional Steered Molecular Dynamics.

|Jan 02, 2024
Guidelines for Free-Energy Calculations Involving Charge Changes.

Drazen Petrov, Jan Walther Perthold, Chris Oostenbrink

|Dec 20, 2021
Structure-guided glyco-engineering of ACE2 for improved potency as soluble SARS-CoV-2 decoy receptor.

Tümay Capraz, Nikolaus F Kienzl, Elisabeth Laurent

|Nov 02, 2020
Charge-Changing Perturbations and Path Sampling via Classical Molecular Dynamic Simulations of Simple Guest-Host Systems.

Christoph Öhlknecht, Jan Walther Perthold, Bettina Lier

|Jun 04, 2020
Toward Automated Free Energy Calculation with Accelerated Enveloping Distribution Sampling (A-EDS).

Jan Walther Perthold, Dražen Petrov, Chris Oostenbrink

|Dec 03, 2019
GroScore: Accurate Scoring of Protein-Protein Binding Poses Using Explicit-Solvent Free-Energy Calculations.

Jan Walther Perthold, Chris Oostenbrink

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Frequent Collaborators

8 joint publications

Chris Oostenbrink

2 joint publications

Drazen Petrov

1 joint publications

Tümay Capraz

1 joint publications

Nikolaus F Kienzl