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Jan Walther Perthold

7PUBLICATIONS

17CO-AUTHORS

Statistical mechanics in chemistryChemical engineering designBiomolecular modelling and designBioinformatic methods development

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Publications (7)

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|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

|Apr 20, 2018

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

Jan Walther Perthold, Chris Oostenbrink

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Frequent Collaborators

7 joint publications

Chris Oostenbrink

1 joint publications

Tümay Capraz

1 joint publications

Nikolaus F Kienzl

1 joint publications

Elisabeth Laurent

1 joint publications

Esther Föderl-Höbenreich

1 joint publications

Clemens Grünwald-Gruber

1 joint publications

Vanessa Monteil

1 joint publications

Gerald Wirnsberger

1 joint publications

Kurt Zatloukal

1 joint publications

Lukas Mach

Frequent Collaborators

7 joint publications

Chris Oostenbrink

1 joint publications

Tümay Capraz

1 joint publications

Nikolaus F Kienzl

1 joint publications

Elisabeth Laurent

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