Quantized water access to the HIV-1 protease active site as a proposed mechanism for cooperative mutations in drug affinity

Biochemistry

Volumn 51, Issue 33, 2012, Pages 6487-6489

  Hall, Benjamin A ^a   Wright, David W ^a   Jha, Shantenu ^b   Coveney, Peter V ^a  

^a UNIVERSITY COLLEGE LONDON   (United Kingdom)

^b RUTGERS UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVE SITE; COOPERATIVITY; HIV-1 PROTEASE; LIGAND BINDING; WATER BINDING;

BIOCHEMISTRY; CHEMISTRY;

BINDING ENERGY;

HUMAN IMMUNODEFICIENCY VIRUS PROTEINASE; LOPINAVIR; RITONAVIR;

ARTICLE; BINDING SITE; CONFORMATIONAL TRANSITION; DRUG BINDING; ENZYME ACTIVE SITE; HYDROPHILICITY; LIGAND BINDING; MOLECULAR DYNAMICS; MOLECULAR MECHANICS; POINT MUTATION; PRIORITY JOURNAL; QUANTUM MECHANICS;

CATALYTIC DOMAIN; DRUG RESISTANCE, VIRAL; HIV PROTEASE; HIV PROTEASE INHIBITORS; LOPINAVIR; MUTATION; RITONAVIR; THERMODYNAMICS; WATER;

EID: 84865419484     PISSN: 00062960     EISSN: 15204995     Source Type: Journal    
DOI: 10.1021/bi300432u     Document Type: Article

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