Benjamin Ries

14PUBLICATIONS
25CO-AUTHORS
Chemical and thermal processes in energy and combustionComputational chemistryFormal methods for softwareStatistical mechanics in chemistryBiomolecular modelling and design
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Publications (14)

|Feb 20, 2025
IMERGE-FEP: Improving Relative Free Energy Calculation Convergence with Chemical Intermediates.

Linde Schoenmaker, Daan A Jiskoot, Jenke Scheen

|Nov 06, 2024
Konnektor: A Framework for Using Graph Theory to Plan Networks for Free Energy Calculations.

Benjamin Ries, Richard J Gowers, Hannah M Baumann

|Jul 02, 2024
Automated Absolute Binding Free Energy Calculation Workflow for Drug Discovery.

Benjamin Ries, Irfan Alibay, Nithishwer Mouroug Anand

|Feb 08, 2024
Kartograf: A Geometrically Accurate Atom Mapper for Hybrid-Topology Relative Free Energy Calculations.

Benjamin Ries, Irfan Alibay, David W H Swenson

|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

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Frequent Collaborators

10 joint publications

Sereina Riniker

7 joint publications

Salomé Rieder

6 joint publications

Emília P Barros

5 joint publications

Philippe H Hünenberger