Predicting Ligand Binding Modes from Neural Networks Trained on Protein-Ligand Interaction Fingerprints - researchr publication

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Vladimir I. Chupakhin, Gilles Marcou, Igor I. Baskin, Alexandre Varnek, Didier Rognan. Predicting Ligand Binding Modes from Neural Networks Trained on Protein-Ligand Interaction Fingerprints. Journal of Chemical Information and Computer Sciences, 53(4):763-772, 2013. [doi]

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