Benjamin Ries

Orcid: 0000-0002-0945-8304

According to our database1, Benjamin Ries authored at least 10 papers between 2014 and 2024.

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Bibliography

2024
Automated Absolute Binding Free Energy Calculation Workflow for Drug Discovery.
J. Chem. Inf. Model., 2024

2023
Accelerating Alchemical Free Energy Prediction Using a Multistate Method: Application to Multiple Kinases.
J. Chem. Inf. Model., November, 2023

Accounting for Solvation Correlation Effects on the Thermodynamics of Water Networks in Protein Cavities.
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.
J. Chem. Inf. Model., 2022

RestraintMaker: a graph-based approach to select distance restraints in free-energy calculations with dual topology.
J. Comput. Aided Mol. Des., 2022

Relative free-energy calculations for scaffold hopping-type transformations with an automated RE-EDS sampling procedure.
J. Comput. Aided Mol. Des., 2022

2021
Ensembler: A Simple Package for Fast Prototyping and Teaching Molecular Simulations.
J. Chem. Inf. Model., 2021

2015
The k-Observer Problem on d-regular Graphs.
Proceedings of the Stabilization, Safety, and Security of Distributed Systems, 2015

2014
A heuristic for logical data buffer allocation in multicore platforms.
Proceedings of the IEEE 33rd International Performance Computing and Communications Conference, 2014

Optimized buffer allocation in multicore platforms.
Proceedings of the Design, Automation & Test in Europe Conference & Exhibition, 2014


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