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Publications by Benoı̂t Roux

CHARMM-GUI Ligand Binder for Absolute Binding Free Energy Calculations and Its Application

Journal of Chemical Information and Modeling
Computer Science ApplicationsChemistryChemical EngineeringLibraryInformation Sciences
2012English

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Absolute Binding Free Energy Calculations: On the Accuracy of Computational Scoring of Protein-Ligand Interactions

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Large Scale Free Energy Calculations for Blind Predictions of Protein–ligand Binding: The D3R Grand Challenge 2015

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