Article
Understanding the basis of resistance in the irksome Lys103Asn HIV-1 reverse transcriptase mutant through targeted molecular dynamics simulations.
Journal of the American Chemical Society - 1 Dec 2004
Rodríguez-Barrios Fátima, Gago Federico
Abstract excerpt
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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