Ranking docking poses by graph matching of protein-ligand interactions: lessons learned from the D3R Grand Challenge 2

Priscila da Silva Figueiredo Celestino Gomes, Franck Da Silva, Guillaume Bret, Didier Rognan. Ranking docking poses by graph matching of protein-ligand interactions: lessons learned from the D3R Grand Challenge 2. Journal of Computer-Aided Molecular Design, 32(1):75-87, 2018. [doi]

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