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Curr Opin Pharmacol. 2010 Dec;10(6):770-4. doi: 10.1016/j.coph.2010.09.001. Epub 2010 Sep 29.

Computer-aided drug-discovery techniques that account for receptor flexibility.

Author information

1
Department of Chemistry & Biochemistry, University of California San Diego, La Jolla, CA 92093, USA. jdurrant@ucsd.edu

Abstract

Protein flexibility plays a critical role in ligand binding to both orthosteric and allosteric sites. We here review some of the computer-aided drug-design techniques currently used to account for protein flexibility, ranging from methods that probe local receptor flexibility in the region of the protein immediately adjacent to the binding site, to those that account for general flexibility in all protein regions.

PMID:
20888294
PMCID:
PMC3026641
DOI:
10.1016/j.coph.2010.09.001
[Indexed for MEDLINE]
Free PMC Article

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