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Journal of Chemical Theory and Computation
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December 23, 2024
Robust Automated Truncation Point Selection for Molecular Simulations
Finlay Clark, Daniel J Cole, Julien Michel
Journal of Chemical Theory and Computation
|
June 7, 2023
Comparison of Receptor-Ligand Restraint Schemes for Alchemical Absolute Binding Free Energy Calculations
Finlay Clark, Graeme Robb, Daniel J Cole, et al.
Journal of Chemical Theory and Computation
|
September 10, 2024
Automated Adaptive Absolute Binding Free Energy Calculations
Finlay Clark, Graeme R Robb, Daniel J Cole, et al.
The Journal of Chemical Physics
|
May 30, 2024
Sire: An interoperability engine for prototyping algorithms and exchanging information between molecular simulation programs
Christopher J Woods, Lester O Hedges, Adrian J Mulholland, et al.
Journal of Chemical Information and Modeling
|
February 26, 2026
A Computational Community Blind Challenge on Pan-Coronavirus Drug Discovery Data
Hugo MacDermott-Opeskin, Jenke Scheen, Cas Wognum, et al.
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of 1
Search research articles
Search
Showing results (1-10 of 5) with videos related to
Sort By:
Page
of 1
Journal of Chemical Theory and Computation
|
December 23, 2024
Robust Automated Truncation Point Selection for Molecular Simulations
Finlay Clark, Daniel J Cole, Julien Michel
Journal of Chemical Theory and Computation
|
June 7, 2023
Comparison of Receptor-Ligand Restraint Schemes for Alchemical Absolute Binding Free Energy Calculations
Finlay Clark, Graeme Robb, Daniel J Cole, et al.
Journal of Chemical Theory and Computation
|
September 10, 2024
Automated Adaptive Absolute Binding Free Energy Calculations
Finlay Clark, Graeme R Robb, Daniel J Cole, et al.
The Journal of Chemical Physics
|
May 30, 2024
Sire: An interoperability engine for prototyping algorithms and exchanging information between molecular simulation programs
Christopher J Woods, Lester O Hedges, Adrian J Mulholland, et al.
Journal of Chemical Information and Modeling
|
February 26, 2026
A Computational Community Blind Challenge on Pan-Coronavirus Drug Discovery Data
Hugo MacDermott-Opeskin, Jenke Scheen, Cas Wognum, et al.
Page
of 1