Candide Champion

Publication Activity (10 Years)

Years Active: 2022-2024
Publications (10 Years): 10

Top Topics

Molecular Dynamics Simulations

High Efficiency

Single Molecule

Top Venues

Journal of chemical theory and computation

The Journal of chemical physics

Journal of chemical information and modeling

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

Publications

Candide Champion, Philippe H Hünenberger, Sereina Riniker
Multistate Method to Efficiently Account for Tautomerism and Protonation in Alchemical Free-Energy Calculations. Journal of chemical theory and computation 20 (10) (2024)
Candide Champion, Marc T Lehner, Albert A Smith, Fabien Ferrage, Nicolas Bolik-Coulon, Sereina Riniker
Unraveling motion in proteins by combining NMR relaxometry and molecular dynamics simulations: A case study on ubiquitin. The Journal of chemical physics 160 (10) (2024)
Candide Champion, Philippe H Hünenberger, Sereina Riniker
Multistate Method to Efficiently Account for Tautomerism and Protonation in Alchemical Free-Energy Calculations. Journal of chemical theory and computation 20 (10) (2024)
Candide Champion, Philippe H Hünenberger, Sereina Riniker
Multistate Method to Efficiently Account for Tautomerism and Protonation in Alchemical Free-Energy Calculations. Journal of chemical theory and computation 20 (10) (2024)
Candide Champion, Philippe H Hünenberger, Sereina Riniker
Multistate Method to Efficiently Account for Tautomerism and Protonation in Alchemical Free-Energy Calculations. Journal of chemical theory and computation (2024)
Candide Champion, René Gall, Benjamin Ries, Salomé R Rieder, Emilia P Barros, Sereina Riniker
Accelerating Alchemical Free Energy Prediction Using a Multistate Method: Application to Multiple Kinases. Journal of chemical information and modeling (2023)
Salomé R Rieder, Benjamin Ries, Alžbeta Kubincová, Candide Champion, Emilia P Barros, Philippe H Hünenberger, Sereina Riniker
Leveraging the sampling efficiency of RE-EDS in OpenMM using a shifted reaction-field with an atom-based cutoff. The Journal of chemical physics 157 (10) (2022)
Salomé R Rieder, Benjamin Ries, Candide Champion, Emilia P Barros, Philippe H Hünenberger, Sereina Riniker
Replica-Exchange Enveloping Distribution Sampling: Calculation of Relative Free Energies in GROMOS. Chimia 76 (4) (2022)
Benjamin Ries, Karl Normak, R Gregor Weiß, Salomé R Rieder, Emilia P Barros, Candide Champion, Gerhard König, Sereina Riniker
Relative free-energy calculations for scaffold hopping-type transformations with an automated RE-EDS sampling procedure. Journal of computer-aided molecular design 36 (2) (2022)
Salomé R Rieder, Benjamin Ries, Kay Schaller, Candide Champion, Emilia P Barros, Philippe H Hünenberger, Sereina Riniker
Replica-Exchange Enveloping Distribution Sampling Using Generalized AMBER Force-Field Topologies: Application to Relative Hydration Free-Energy Calculations for Large Sets of Molecules. Journal of chemical information and modeling 62 (12) (2022)