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  1. 1
    Multiple Molecular Dynamics Simulations and Free-Energy Predictions Uncover the Susceptibility of Variants of HIV-1 Protease against Inhibitors Darunavir and KNI-1657
    Schlagworte: “...NLM p16 protease, Human immunodeficiency virus 1...”

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  2. 2
    Semiempirical methods do Fukui functions Unlocking a modeling framework for biosystems
    Schlagworte: “...NLM p16 protease, Human immunodeficiency virus 1...”

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  3. 3
    Multiple Molecular Dynamics Simulations of the Inhibitor GRL-02031 Complex with Wild Type and Mutant HIV-1 Protease Reveal the Binding and Drug-Resistance Mechanism
    Schlagworte: “...NLM p16 protease, Human immunodeficiency virus 1...”

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  4. 4
    Fast and accurate determination of the relative binding affinities of small compounds to HIV-1 protease using non-equilibrium work
    von Ngo, Son Tung
    Veröffentlicht in: Journal of computational chemistry (2016)
    Schlagworte: “...NLM p16 protease, Human immunodeficiency virus 1...”

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  5. 5
    Understanding the basis of I50V-induced affinity decrease in HIV-1 protease via molecular dynamics simulations using polarized force field
    von Duan, Rui
    Veröffentlicht in: Journal of computational chemistry (2015)
    Schlagworte: “...NLM p16 protease, Human immunodeficiency virus 1...”

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  6. 6
    An estimation method of binding free energy in terms of ABEEMσπ/MM and continuum electrostatics fused into LIE method
    von Chen, Shu-Ling
    Veröffentlicht in: Journal of computational chemistry (2011)
    Schlagworte: “...NLM p16 protease, Human immunodeficiency virus 1...”

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  7. 7
    HIV-1 protease cleavage site prediction based on amino acid property
    von Niu, Bing
    Veröffentlicht in: Journal of computational chemistry (2009)
    Schlagworte: “...NLM p16 protease, Human immunodeficiency virus 1...”

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