Structural studies on molecular mechanisms of Nelfinavir resistance caused by non-active site mutation V77I in HIV-1 protease - Gupta, Ankita; Jamal, Salma; Goyal, Sukriti; Jain, Ritu; Wahi, Divya; Grover, Abhinav (BMC bioinformatics, 2015)
Keywords: Algorithms; Binding Sites - genetics; Bioinformatics; Biomedical and Life Sciences; Catalytic Domain; Computational Biology/Bioinformatics; Computer Appl. in Life Sciences; Drug Resistance, Viral - genetics; Genetic aspects; HIV (Viruses); HIV Infections - genetics; HIV Protease - genetics; HIV Protease Inhibitors - pharmacology; HIV-1 - enzymology; HIV-1 - genetics; HIV-1 - isolation & purification; Humans; Hydrogen Bonding; Hydrophobic and Hydrophilic Interactions; Life Sciences; Ligands; Microarrays; Molecular Docking Simulation; Molecular dynamics; Molecular Dynamics Simulation; Mutation - genetics; Nelfinavir; Nelfinavir - chemistry; Nelfinavir - pharmacology; Protease inhibitors; Proteases; Thermodynamics; molecular dynamics simulations; mutation; docking; HIV; Nelfinavir; mechanism; resistance