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Benjamin Ries
Person information
- affiliation: Boehringer Ingelheim, Germany
- affiliation (PhD 2022): ETH Zurich, Switzerland
Other persons with the same name
- Benjamin Schroeder 0001 — Ohio State University, Columbus, OH, USA
- Benjamin Schroeder 0003
(aka: Benjamin B. Schroeder) — Sandia National Laboratories, Albuquerque, NM, USA
- Benjamin Schroeder 0004
— Wayfair, Boston, MA, USA
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2020 – today
- 2024
- [j10]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) - [j9]Benjamin Ries
, Richard J. Gowers, Hannah M. Baumann
, David W. H. Swenson
, Michael M. Henry, James R. B. Eastwood
, Irfan Alibay
, David L. Mobley
:
Konnektor: A Framework for Using Graph Theory to Plan Networks for Free Energy Calculations. J. Chem. Inf. Model. 64(22): 8396-8403 (2024) - 2023
- [j8]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) - [j7]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
- [j6]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) - [j5]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) - [j4]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
- [j3]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) - 2020
- [j2]Gerhard König
, Nina Glaser
, Benjamin Schroeder
, Alzbeta Kubincová
, Philippe H. Hünenberger
, Sereina Riniker
:
An Alternative to Conventional λ-Intermediate States in Alchemical Free Energy Calculations: λ-Enveloping Distribution Sampling. J. Chem. Inf. Model. 60(11): 5407-5423 (2020)
2010 – 2019
- 2019
- [j1]Jagna Witek, Shuzhe Wang
, Benjamin Schroeder
, Robin Lingwood, Andreas Dounas
, Hans-Jörg Roth, Marianne Fouché, Markus Blatter, Oliver Lemke
, Bettina G. Keller
, Sereina Riniker
:
Rationalization of the Membrane Permeability Differences in a Series of Analogue Cyclic Decapeptides. J. Chem. Inf. Model. 59(1): 294-308 (2019) - 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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