RSC Medicinal Chemistry
RSC Medicinal Chemistry
5 years ago

A systematic analysis of atomic protein-ligand interactions in the PDB

A systematic analysis of atomic protein-ligand interactions in the PDB
Matthieu Schapira, Renato Ferreira de Freitas
We compiled a list of 11 016 unique structures of small-molecule ligands bound to proteins representing 750 873 protein-ligand atomic interactions, and analyzed the frequency, geometry and the impact of each interaction type. The most frequent ligand-protein atom pairs can be clustered into seven interaction types.

Publisher URL: http://feeds.rsc.org/~r/rss/MD/~3/AtI_0rdm2fk/C7MD00381A

DOI: 2017/MD/C7MD00381A

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