Candide Champion
7PUBLICATIONS
13CO-AUTHORS
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Publications (7)
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|May 14, 2024
Multistate Method to Efficiently Account for Tautomerism and Protonation in Alchemical Free-Energy Calculations.Candide Champion, Philippe H Hünenberger, Sereina Riniker
|Mar 11, 2024
Unraveling motion in proteins by combining NMR relaxometry and molecular dynamics simulations: A case study on ubiquitin.Candide Champion, Marc Lehner, Albert A Smith
|Dec 09, 2023
Replica-Exchange Enveloping Distribution Sampling: Calculation of Relative Free Energies in GROMOS.Salomé R Rieder, Benjamin Ries, Candide Champion
|Nov 10, 2023
Accelerating Alchemical Free Energy Prediction Using a Multistate Method: Application to Multiple Kinases.Candide Champion, René Gall, Benjamin Ries
|Sep 15, 2022
Leveraging the sampling efficiency of RE-EDS in OpenMM using a shifted reaction-field with an atom-based cutoff.Salomé R Rieder, Benjamin Ries, Alžbeta Kubincová
|Jun 08, 2022
Replica-Exchange Enveloping Distribution Sampling Using Generalized AMBER Force-Field Topologies: Application to Relative Hydration Free-Energy Calculations for Large Sets of Molecules.Salomé R Rieder, Benjamin Ries, Kay Schaller
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Frequent Collaborators
7 joint publications
Sereina Riniker
5 joint publications
Benjamin Ries
5 joint publications
Salomé Rieder
5 joint publications
Emília P Barros
4 joint publications
Philippe H Hünenberger
1 joint publications
Karl Normak
1 joint publications
R Gregor Weiß
1 joint publications
Gerhard König
1 joint publications
Alžbeta Kubincová
1 joint publications
Marc Lehner
