De Novo Molecule Design Through the Molecular Generative Model Conditioned by 3D Information of Protein Binding Sites - researchr publication

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Mingyuan Xu, Ting Ran, Hongming Chen. De Novo Molecule Design Through the Molecular Generative Model Conditioned by 3D Information of Protein Binding Sites. Journal of Chemical Information and Computer Sciences, 61(7):3240-3254, 2021. [doi]

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