Resolution of discordant HIV-1 protease resistance rankings using molecular dynamics simulations

Journal of Chemical Information and Modeling

Volumn 51, Issue 10, 2011, Pages 2636-2649

  Wright, David W ^a   Coveney, Peter V ^a  

^a UNIVERSITY COLLEGE LONDON   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

DECISION SUPPORT SYSTEMS; DIMERS; PLANTS (BOTANY);

ATOMISTIC MOLECULAR DYNAMICS SIMULATIONS; CLINICAL DECISION SUPPORT SYSTEMS; DIMER INTERFACE; DRUG RESISTANCE; MOLECULAR DYNAMICS SIMULATIONS; RANKING METHODOLOGIES; RELATIVE FREQUENCIES; RESISTANCE LEVEL;

MOLECULAR DYNAMICS;

HUMAN IMMUNODEFICIENCY VIRUS PROTEINASE; HUMAN IMMUNODEFICIENCY VIRUS PROTEINASE INHIBITOR; LOPINAVIR; WATER;

ANTIVIRAL RESISTANCE; ARTICLE; BIOLOGY; CHEMISTRY; DRUG DEVELOPMENT; DRUG EFFECT; ENZYME ACTIVE SITE; ENZYMOLOGY; GENETICS; HUMAN; HUMAN IMMUNODEFICIENCY VIRUS 1; METABOLISM; METHODOLOGY; MOLECULAR DYNAMICS; MUTATION; PRINCIPAL COMPONENT ANALYSIS; PROTEIN MULTIMERIZATION; PROTEIN QUATERNARY STRUCTURE; THERMODYNAMICS;

CATALYTIC DOMAIN; COMPUTATIONAL BIOLOGY; DRUG DISCOVERY; DRUG RESISTANCE, VIRAL; HIV PROTEASE; HIV PROTEASE INHIBITORS; HIV-1; HUMANS; LOPINAVIR; MOLECULAR DYNAMICS SIMULATION; MUTATION; PRINCIPAL COMPONENT ANALYSIS; PROTEIN MULTIMERIZATION; PROTEIN STRUCTURE, QUATERNARY; THERMODYNAMICS; WATER;

EID: 80054883722     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci200308r     Document Type: Article

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