Structural modeling of HCV NS3/4A serine protease drug-resistance mutations using end-point continuum solvation and side-chain flexibility calculations

Journal of Chemical Information and Modeling

Volumn 53, Issue 2, 2013, Pages 435-451

  Hotiana, Hajira Ahmed ^a   Haider, Muhammad Kamran ^a  

^a LAHORE UNIVERSITY OF MANAGEMENT SCIENCES   (Pakistan)

Author keywords

[No Author keywords available]

Indexed keywords

AMINO ACIDS; BINDING SITES; COMPUTATION THEORY; ECONOMIC AND SOCIAL EFFECTS; FORECASTING; GRAPH THEORY; INVERSE PROBLEMS; LIGANDS; PROTEINS; SOLVATION; VAN DER WAALS FORCES;

CONTINUUM SOLVATIONS; FLEXIBILITY ANALYSIS; PROTEIN FLEXIBILITY; QUALITY OF PREDICTIONS; QUANTITATIVE ASSESSMENTS; SMALL MOLECULE INHIBITOR; SOLVENT ENVIRONMENTS; VAN DER WAALS INTERACTIONS;

BINDING ENERGY;

SERINE PROTEINASE; SERINE PROTEINASE INHIBITOR;

ANTIVIRAL RESISTANCE; ARTICLE; BINDING SITE; CHEMISTRY; DRUG EFFECT; ENZYMOLOGY; GENETICS; HEPATITIS C; HEPATITIS C VIRUS; HUMAN; METABOLISM; MOLECULAR DOCKING; MUTATION; PROTEIN BINDING; THERMODYNAMICS;

BINDING SITES; DRUG RESISTANCE, VIRAL; HEPACIVIRUS; HEPATITIS C; HUMANS; MOLECULAR DOCKING SIMULATION; MUTATION; PROTEIN BINDING; SERINE PROTEASES; SERINE PROTEINASE INHIBITORS; THERMODYNAMICS;

EID: 84874412077     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci3004754     Document Type: Article

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