New computational protein design methods for de novo small molecule binding sites.

Protein binding to small molecules is fundamental to many biological processes, yet it remains challenging to predictively design this functionality de novo. Current state-of-the-art computational design methods typically rely on existing small molecule binding sites or protein scaffolds with existi...

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Bibliographic Details
Main Authors: James E Lucas, Tanja Kortemme
Format: Article
Language:English
Published: Public Library of Science (PLoS) 2020-10-01
Series:PLoS Computational Biology
Online Access:https://doi.org/10.1371/journal.pcbi.1008178