Benjamin Ries

According to our database, Benjamin Ries authored at least 13 papers between 2014 and 2024.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of three.

2024

Konnektor: A Framework for Using Graph Theory to Plan Networks for Free Energy Calculations.

Benjamin Ries, Richard J. Gowers, Hannah M. Baumann, David W. H. Swenson, Michael M. Henry, James R. B. Eastwood, Irfan Alibay, David L. Mobley

J. Chem. Inf. Model., 2024

Automated Absolute Binding Free Energy Calculation Workflow for Drug Discovery.

Benjamin Ries, Irfan Alibay, Nithishwer Mouroug Anand, Philip C. Biggin, Aniket Magarkar

J. Chem. Inf. Model., 2024

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

2021

Ensembler: A Simple Package for Fast Prototyping and Teaching Molecular Simulations.

Benjamin Ries, Stephanie M. Linker, David F. Hahn, Gerhard König, Sereina Riniker

J. Chem. Inf. Model., 2021

2020

An Alternative to Conventional λ-Intermediate States in Alchemical Free Energy Calculations: λ-Enveloping Distribution Sampling.

Gerhard König, Nina Glaser, Benjamin Schroeder, Alzbeta Kubincová, Philippe H. Hünenberger, Sereina Riniker

J. Chem. Inf. Model., 2020

2019

Rationalization of the Membrane Permeability Differences in a Series of Analogue Cyclic Decapeptides.

Jagna Witek, Shuzhe Wang, Benjamin Schroeder, Robin Lingwood, Andreas Dounas, Hans-Jörg Roth, Marianne Fouché, Markus Blatter, Oliver Lemke, Bettina G. Keller, Sereina Riniker

J. Chem. Inf. Model., 2019

2015

The k-Observer Problem on d-regular Graphs.

Benjamin Ries, Bernhard Schamberg, Walter Unger

Proceedings of the Stabilization, Safety, and Security of Distributed Systems, 2015

2014

A heuristic for logical data buffer allocation in multicore platforms.

Benjamin Ries, Walter Unger, Maximilian Odendahl, Rainer Leupers

Proceedings of the IEEE 33rd International Performance Computing and Communications Conference, 2014

Optimized buffer allocation in multicore platforms.

Maximilian Odendahl, Andres Goens, Rainer Leupers, Gerd Ascheid, Benjamin Ries, Berthold Vöcking, Tomas Henriksson

Proceedings of the Design, Automation & Test in Europe Conference & Exhibition, 2014