Salomé Rieder

According to our database, Salomé Rieder authored at least 6 papers between 2022 and 2023.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2023

Development of an open-source software for isomer enumeration.

Salomé Rieder, Marina P. Oliveira, Sereina Riniker, Philippe H. Hünenberger

J. Cheminformatics, December, 2023

Accelerating Alchemical Free Energy Prediction Using a Multistate Method: Application to Multiple Kinases.

Candide Champion, René Gall, Benjamin Ries, Salomé Rieder, Emília P. Barros, Sereina Riniker

J. Chem. Inf. Model., November, 2023

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

Emília P. Barros, Benjamin Ries, Candide Champion, Salomé Rieder, Sereina Riniker

J. Chem. Inf. Model., March, 2023

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 Rieder, Benjamin Ries, Kay Schaller, Candide Champion, Emília P. Barros, Philippe H. Hünenberger, Sereina Riniker

J. Chem. Inf. Model., 2022

RestraintMaker: a graph-based approach to select distance restraints in free-energy calculations with dual topology.

Benjamin Ries, Salomé Rieder, Clemens Rhiner, Philippe H. Hünenberger, Sereina Riniker

J. Comput. Aided Mol. Des., 2022

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

Benjamin Ries, Karl Normak, R. Gregor Weiß, Salomé Rieder, Emília P. Barros, Candide Champion, Gerhard König, Sereina Riniker

J. Comput. Aided Mol. Des., 2022