Article
Insights into saquinavir resistance in the G48V HIV-1 protease: quantum calculations and molecular dynamic simulations.
Biophysical journal - 1 Feb 2005
Wittayanarakul Kitiyaporn, Aruksakunwong Ornjira, Saen-oon Suwipa, Chantratita Wasun, Parasuk Vudhichai, Sompornpisut Pornthep, Hannongbua Supot
Abstract excerpt
The spread of acquired immune deficiency syndrome has increasingly become a great concern owing largely to the failure of chemotherapies. The G48V is considered the key signature residue mutation of HIV-1 protease developing with saquinavir therapy. Molecular dynamics simulations of the wild-type and the G48V HIV-1 protease complexed with saquinavir were carried out to explore structure and interactions of the...
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