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Human immunodeficiency virus-1 protease (HIV-1Pr) and inhibitors were docked. Binding of HIV-1Pr and two inhibitors: Saquinavir and Litchi chinensis extracts (3-oxotrirucalla-7, 24-dien-21-oic acid) were investigated. Results from search methods were screened out using nonparametric Binomial Distribution Test and compared with the binding structure from explicit molecular dynamic simulation.

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