Publications by authors named "Finlay Clark"

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Robust Automated Truncation Point Selection for Molecular Simulations.
Finlay Clark, Daniel J Cole, Julien Michel

J Chem Theory Comput· January 2025

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Automated Adaptive Absolute Binding Free Energy Calculations.
Finlay Clark, Graeme R Robb, Daniel J Cole, Julien Michel

J Chem Theory Comput· September 2024

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Sire: An interoperability engine for prototyping algorithms and exchanging information between molecular simulation programs.
Christopher J Woods, Lester O Hedges, Adrian J Mulholland, Maturos Malaisree, Paolo Tosco, Finlay Clark

J Chem Phys· May 2024

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Comparison of Receptor-Ligand Restraint Schemes for Alchemical Absolute Binding Free Energy Calculations.
Finlay Clark, Graeme Robb, Daniel J Cole, Julien Michel

J Chem Theory Comput· June 2023

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