A Comparative Molecular Dynamics, MM–PBSA and Thermodynamic Integration Study of Saquinavir Complexes With Wild-Type HIV-1 PR and L10I, G48V, L63P, A71V, G73S, V82A and I84V Single Mutants

Journal of Chemical Theory and Computation - United States
doi 10.1021/ct301063k
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American Chemical Society (ACS)

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