Hybrid receptor structure/ligand-based docking and activity prediction in ICM: development and evaluation in D3R Grand Challenge 3

Polo Chun-Hung Lam, Ruben Abagyan, Maxim Totrov. Hybrid receptor structure/ligand-based docking and activity prediction in ICM: development and evaluation in D3R Grand Challenge 3. Journal of Computer-Aided Molecular Design, 33(1):35-46, 2019. [doi]

Authors

Polo Chun-Hung Lam

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Ruben Abagyan

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Maxim Totrov

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