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Docking Ligands into Flexible and Solvated Macromolecules. 5. Force-Field-Based Prediction of Binding Affinities of Ligands to Proteins

Pablo Englebienne, Nicolas Moitessier. Docking Ligands into Flexible and Solvated Macromolecules. 5. Force-Field-Based Prediction of Binding Affinities of Ligands to Proteins. Journal of Chemical Information and Computer Sciences, 49(11):2564-2571, 2009. [doi]

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