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Journal Articles
- 2024
[j7]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): 5357-5364 (2024)- 2023
- [j6]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): 1794-1805 (2023) - [j5]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): 7133-7147 (2023) - 2022
- [j4]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): 117-130 (2022) - [j3]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): 175-192 (2022) - [j2]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): 3043-3056 (2022) - 2021
- [j1]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): 560-564 (2021)
Conference and Workshop Papers
- 2015
- [c3]Benjamin Ries, Bernhard Schamberg, Walter Unger:
The k-Observer Problem on d-regular Graphs. SSS 2015: 81-93 - 2014
- [c2]Maximilian Odendahl, Andres Goens, Rainer Leupers, Gerd Ascheid, Benjamin Ries, Berthold Vöcking, Tomas Henriksson:
Optimized buffer allocation in multicore platforms. DATE 2014: 1-6 - [c1]Benjamin Ries, Walter Unger, Maximilian Odendahl, Rainer Leupers:
A heuristic for logical data buffer allocation in multicore platforms. IPCCC 2014: 1-2
Coauthor Index
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