Benjamin Ries - RankMe

12 papers A 1C 2Journal 9

Year	Rank	Type	Title / Venue / Authors
2025	J	`jnl`	Moldrug algorithm for an automated ligand binding site exploration by 3D aware molecular enumerations. J. Cheminformatics Alejandro Martínez León, Benjamin Ries, Jochen S. Hub, Aniket Magarkar
2024	J	`jnl`	Automated Absolute Binding Free Energy Calculation Workflow for Drug Discovery. J. Chem. Inf. Model. Benjamin Ries, Irfan Alibay, Nithishwer Mouroug Anand, Philip C. Biggin, Aniket Magarkar
2024	J	`jnl`	Konnektor: A Framework for Using Graph Theory to Plan Networks for Free Energy Calculations. J. Chem. Inf. Model. Benjamin Ries, Richard J. Gowers, Hannah M. Baumann, David W. H. Swenson, Michael M. Henry, James R. B. Eastwood, Irfan Alibay, David L. Mobley
2023	J	`jnl`	Accelerating Alchemical Free Energy Prediction Using a Multistate Method: Application to Multiple Kinases. J. Chem. Inf. Model. Candide Champion, René Gall, Benjamin Ries, Salomé Rieder, Emília P. Barros, Sereina Riniker
2023	J	`jnl`	Accounting for Solvation Correlation Effects on the Thermodynamics of Water Networks in Protein Cavities. J. Chem. Inf. Model. Emília P. Barros, Benjamin Ries, Candide Champion, Salomé Rieder, Sereina Riniker
2022	J	`jnl`	Relative free-energy calculations for scaffold hopping-type transformations with an automated RE-EDS sampling procedure. J. Comput. Aided Mol. Des. Benjamin Ries, Karl Normak, R. Gregor Weiß, Salomé Rieder, Emília P. Barros, Candide Champion, Gerhard König, Sereina Riniker
2022	J	`jnl`	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. Salomé Rieder, Benjamin Ries, Kay Schaller, Candide Champion, Emília P. Barros, Philippe H. Hünenberger, Sereina Riniker
2022	J	`jnl`	RestraintMaker: a graph-based approach to select distance restraints in free-energy calculations with dual topology. J. Comput. Aided Mol. Des. Benjamin Ries, Salomé Rieder, Clemens Rhiner, Philippe H. Hünenberger, Sereina Riniker
2021	J	`jnl`	Ensembler: A Simple Package for Fast Prototyping and Teaching Molecular Simulations. J. Chem. Inf. Model. Benjamin Ries, Stephanie M. Linker, David F. Hahn, Gerhard König, Sereina Riniker
2015	C	`conf`	The k-Observer Problem on d-regular Graphs. SSS Benjamin Ries, Bernhard Schamberg, Walter Unger
2014	C	`conf`	A heuristic for logical data buffer allocation in multicore platforms. IPCCC Benjamin Ries, Walter Unger, Maximilian Odendahl, Rainer Leupers
2014	A	`conf`	Optimized buffer allocation in multicore platforms. DATE Maximilian Odendahl, Andres Goens, Rainer Leupers, Gerd Ascheid, Benjamin Ries, Berthold Vöcking, Tomas Henriksson