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Computational Tools for Allosteric Drug Discovery: Site Identification and Focus Library Design

Wenkang Huang1, Ruth Nussinov2,3, Jian Zhang4

  • 1Department of Pathophysiology, Key Laboratory of Cell Differentiation and Apoptosis of Chinese Ministry of Education, Shanghai JiaoTong University School of Medicine (SJTU-SM), Shanghai, 200025, China.

Methods in Molecular Biology (Clifton, N.J.)
|December 4, 2016
PubMed
Summary

This study introduces computational tools to identify allosteric sites and design allosteric modulators, aiding in allosteric drug discovery for targeted therapies with fewer side effects.

Keywords:
Allosteric drug designAllosteric drug discoveryAllosteric modulatorAllosteric siteAllostery

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