Understanding the Basis of Resistance in the Irksome Lys103Asn HIV-1 Reverse Transcriptase Mutant Through Targeted Molecular Dynamics Simulations

Overview

Journal J Am Chem Soc

Publisher American Chemical Society

Specialty Chemistry

Date 2004 Nov 26

PMID 15563158

Citations 7

Authors

Fatima Rodriguez-Barrios

Federico Gago

Affiliations

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Abstract

Results of targeted molecular dynamics simulations confirm the existence of a higher energy barrier for creation of the pocket where non-nucleoside reverse transcriptase inhibitors bind in the K103N mutant enzyme relative to wild-type.

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