Mapping Ligand-Shape Space for Protein-Ligand Systems: Distinguishing Key-in-Lock and Hand-in-Glove Proteins

Joanna Zarnecka, Iva Lukac, Stephen J. Messham, Alhusein Hussin, Francesco Coppola, Steven J. Enoch, Alexander G. Dossetter, Edward J. Griffen, Andrew Leach. Mapping Ligand-Shape Space for Protein-Ligand Systems: Distinguishing Key-in-Lock and Hand-in-Glove Proteins. Journal of Chemical Information and Computer Sciences, 61(4):1859-1874, 2021. [doi]

Abstract

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