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  • Title: Understanding the basis of resistance in the irksome Lys103Asn HIV-1 reverse transcriptase mutant through targeted molecular dynamics simulations.
    Author: Rodríguez-Barrios F, Gago F.
    Journal: J Am Chem Soc; 2004 Dec 01; 126(47):15386-7. PubMed ID: 15563158.
    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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