Mapping Ligand-Shape Space for Protein–Ligand Systems

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, and Andrew G. Leach*  J. Chem. Inf. Model. 2021, 61, 4, 1859–1874
March 23, 2021
https://doi.org/10.1021/acs.jcim.1c00089