Marco Klähn

4PUBLICATIONS
25CO-AUTHORS
Catalysis and mechanisms of reactionsCheminformatics and quantitative structure-activity relationshipsTheoretical quantum chemistryProteins and peptides
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Publications (4)

|Jul 13, 2026
Correction to "Structural Dynamics and Catalytic Mechanism of ATP13A2 (PARK9) from Simulations".

|May 21, 2026
Large-Scale Collaborative Assessment of Binding Free Energy Calculations for Drug Discovery Using OpenFE.

|Apr 20, 2026
Machine-Learned Electrostatic Potentials for Accurate Hydration Free Energy Calculations.

|Sep 08, 2018
On the Stability of Proteins Solvated in Imidazolium-Based Ionic Liquids Studied with Replica Exchange Molecular Dynamics.

Geraldine S Lim, Marco Klähn

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Frequent Collaborators

1 joint publications

Mathias Hilfiker

1 joint publications

Leonardo Medrano Sandonas

1 joint publications

Alexandre Tkatchenko

1 joint publications

Ola Engkvist