How does a small molecule bind at a cryptic binding site?

Protein-protein interactions (PPIs) are ubiquitous biomolecular processes that are central to virtually all aspects of cellular function. Identifying small molecules that modulate specific disease-related PPIs is a strategy with enormous promise for drug discovery. The design of drugs to disrupt PPI...

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Bibliographic Details
Main Authors: Yibing Shan, Venkatesh P Mysore, Abba E Leffler, Eric T Kim, Shiori Sagawa, David E Shaw
Format: Article
Language:English
Published: Public Library of Science (PLoS) 2022-03-01
Series:PLoS Computational Biology
Online Access:https://journals.plos.org/ploscompbiol/article/file?id=10.1371/journal.pcbi.1009817&type=printable
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