Benjamin Ries

Publication Activity (10 Years)

Years Active: 2014-2024
Publications (10 Years): 8

Top Topics

Buffer Allocation

Highly Correlated

Top Venues

J. Chem. Inf. Model.

J. Comput. Aided Mol. Des.

Publications

Benjamin Ries, Irfan Alibay, Nithishwer Mouroug Anand, Philip C. Biggin, Aniket Magarkar
Automated Absolute Binding Free Energy Calculation Workflow for Drug Discovery. J. Chem. Inf. Model. 64 (14) (2024)
Candide Champion, René Gall, Benjamin Ries, Salomé Rieder, Emília P. Barros, Sereina Riniker
Accelerating Alchemical Free Energy Prediction Using a Multistate Method: Application to Multiple Kinases. J. Chem. Inf. Model. 63 (22) (2023)
Emília P. Barros, Benjamin Ries, Candide Champion, Salomé Rieder, Sereina Riniker
Accounting for Solvation Correlation Effects on the Thermodynamics of Water Networks in Protein Cavities. J. Chem. Inf. Model. 63 (6) (2023)
Benjamin Ries, Karl Normak, R. Gregor Weiß, Salomé Rieder, Emília P. Barros, Candide Champion, Gerhard König, Sereina Riniker
Relative free-energy calculations for scaffold hopping-type transformations with an automated RE-EDS sampling procedure. J. Comput. Aided Mol. Des. 36 (2) (2022)
Benjamin Ries, Salomé Rieder, Clemens Rhiner, Philippe H. Hünenberger, Sereina Riniker
RestraintMaker: a graph-based approach to select distance restraints in free-energy calculations with dual topology. J. Comput. Aided Mol. Des. 36 (3) (2022)
Salomé Rieder, Benjamin Ries, Kay Schaller, Candide Champion, Emília 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. J. Chem. Inf. Model. 62 (12) (2022)
Benjamin Ries, Stephanie M. Linker, David F. Hahn, Gerhard König, Sereina Riniker
Ensembler: A Simple Package for Fast Prototyping and Teaching Molecular Simulations. J. Chem. Inf. Model. 61 (2) (2021)
Benjamin Ries, Bernhard Schamberg, Walter Unger
The k-Observer Problem on d-regular Graphs. SSS (2015)
Benjamin Ries, Walter Unger, Maximilian Odendahl, Rainer Leupers
A heuristic for logical data buffer allocation in multicore platforms. IPCCC (2014)
Maximilian Odendahl, Andres Goens, Rainer Leupers, Gerd Ascheid, Benjamin Ries, Berthold Vöcking, Tomas Henriksson
Optimized buffer allocation in multicore platforms. DATE (2014)