Candide Champion

Torsional Energy Barriers of Biaryls Could Be Predicted by Electron Richness/Deficiency of Aromatic Rings; Advancement of Molecular Mechanics toward Atom-Type Independence

Wanlei Wei, Candide Champion, Zhaomin Liu et al. · Journal of Chemical Information and Modeling · 2019 · 19 citations

Relative free-energy calculations for scaffold hopping-type transformations with an automated RE-EDS sampling procedure

Benjamin Ries, Karl Normak, Richard Weiß et al. · Journal of Computer-Aided Molecular Design · 2022 · 17 citations · Full text

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 et al. · Journal of Chemical Information and Modeling · 2022 · 15 citations · Full text

Accounting for Solvation Correlation Effects on the Thermodynamics of Water Networks in Protein Cavities

Emília P. Barros, Benjamin Ries, Candide Champion et al. · Journal of Chemical Information and Modeling · 2023 · 12 citations · Full text

Unraveling motion in proteins by combining NMR relaxometry and molecular dynamics simulations: A case study on ubiquitin

Candide Champion, Marc Lehner, Albert A. Smith et al. · The Journal of Chemical Physics · 2024 · 11 citations · Full text