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Benjamin Ries

Showing results (1-10 of 22) with videos related to

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Journal of Chemical Theory and Computation|September 3, 2021
Efficient Alchemical Intermediate States in Free Energy Calculations Using λ-Enveloping Distribution SamplingGerhard König, Benjamin Ries, Philippe H Hünenberger, et al.
The Journal of Chemical Physics|February 28, 2021
Volume-scaled common nearest neighbor clustering algorithm with free-energy hierarchyR Gregor Weiß, Benjamin Ries, Shuzhe Wang, et al.
Current Opinion in Structural Biology|September 17, 2021
Recent developments in multiscale free energy simulationsEmilia P Barros, Benjamin Ries, Lennard Böselt, et al.
Journal of Computer-Aided Molecular Design|March 22, 2022
RestraintMaker: a graph-based approach to select distance restraints in free-energy calculations with dual topologyBenjamin Ries, Salomé Rieder, Clemens Rhiner, et al.
Chimia|July 8, 2021
Passing the Barrier - How Computer Simulations Can Help to Understand and Improve the Passive Membrane Permeability of Cyclic PeptidesStephanie M Linker, Shuzhe Wang, Benjamin Ries, et al.
Journal of Chemical Information and Modeling|July 2, 2024
Automated Absolute Binding Free Energy Calculation Workflow for Drug DiscoveryBenjamin Ries, Irfan Alibay, Nithishwer Mouroug Anand, et al.
Journal of Chemical Information and Modeling|January 29, 2021
Ensembler: A Simple Package for Fast Prototyping and Teaching Molecular SimulationsBenjamin Ries, Stephanie M Linker, David F Hahn, et al.
Journal of Chemical Information and Modeling|March 14, 2023
Accounting for Solvation Correlation Effects on the Thermodynamics of Water Networks in Protein CavitiesEmilia P Barros, Benjamin Ries, Candide Champion, et al.
Journal of Chemical Information and Modeling|November 10, 2023
Accelerating Alchemical Free Energy Prediction Using a Multistate Method: Application to Multiple KinasesCandide Champion, René Gall, Benjamin Ries, et al.
Molecular Pharmaceutics|April 27, 2025
Beyond Barriers, Big Crystallization Hurdles: Atropisomerism in Beyond Rule of Five Compounds Explored by Computational and NMR StudiesNikolaos Angelos Stamos, Benjamin Ries, Regina Schneider, et al.
Pageof 3

Showing results (1-10 of 22) with videos related to

Sort By:
Pageof 3
Journal of Chemical Theory and Computation|September 3, 2021
Efficient Alchemical Intermediate States in Free Energy Calculations Using λ-Enveloping Distribution SamplingGerhard König, Benjamin Ries, Philippe H Hünenberger, et al.
The Journal of Chemical Physics|February 28, 2021
Volume-scaled common nearest neighbor clustering algorithm with free-energy hierarchyR Gregor Weiß, Benjamin Ries, Shuzhe Wang, et al.
Current Opinion in Structural Biology|September 17, 2021
Recent developments in multiscale free energy simulationsEmilia P Barros, Benjamin Ries, Lennard Böselt, et al.
Journal of Computer-Aided Molecular Design|March 22, 2022
RestraintMaker: a graph-based approach to select distance restraints in free-energy calculations with dual topologyBenjamin Ries, Salomé Rieder, Clemens Rhiner, et al.
Chimia|July 8, 2021
Passing the Barrier - How Computer Simulations Can Help to Understand and Improve the Passive Membrane Permeability of Cyclic PeptidesStephanie M Linker, Shuzhe Wang, Benjamin Ries, et al.
Journal of Chemical Information and Modeling|July 2, 2024
Automated Absolute Binding Free Energy Calculation Workflow for Drug DiscoveryBenjamin Ries, Irfan Alibay, Nithishwer Mouroug Anand, et al.
Journal of Chemical Information and Modeling|January 29, 2021
Ensembler: A Simple Package for Fast Prototyping and Teaching Molecular SimulationsBenjamin Ries, Stephanie M Linker, David F Hahn, et al.
Journal of Chemical Information and Modeling|March 14, 2023
Accounting for Solvation Correlation Effects on the Thermodynamics of Water Networks in Protein CavitiesEmilia P Barros, Benjamin Ries, Candide Champion, et al.
Journal of Chemical Information and Modeling|November 10, 2023
Accelerating Alchemical Free Energy Prediction Using a Multistate Method: Application to Multiple KinasesCandide Champion, René Gall, Benjamin Ries, et al.
Molecular Pharmaceutics|April 27, 2025
Beyond Barriers, Big Crystallization Hurdles: Atropisomerism in Beyond Rule of Five Compounds Explored by Computational and NMR StudiesNikolaos Angelos Stamos, Benjamin Ries, Regina Schneider, et al.
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