Ordered water and ligand mobility in the HIV-1 integrase-5CITEP complex: A molecular dynamics study

Journal of Medicinal Chemistry

Volumn 44, Issue 19, 2001, Pages 3043-3047

  Ni, H ^a   Sotriffer, C A ^a,b   McCammon, J A ^a  

^a HOWARD HUGHES MEDICAL INSTITUTE   (United States)

^b PHILIPPS UNIVERSITY MARBURG   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

5CITEP; ASPARAGINASE; ASPARTIC ACID; INTEGRASE; INTEGRASE INHIBITOR; LIGAND; UNCLASSIFIED DRUG; WATER;

ARTICLE; BINDING SITE; DRUG DESIGN; ENZYME ACTIVE SITE; ENZYME INHIBITOR COMPLEX; HUMAN IMMUNODEFICIENCY VIRUS 1; LIGAND BINDING; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; SIMULATION; STRUCTURE ANALYSIS; WATER STRUCTURE; X RAY CRYSTALLOGRAPHY;

BINDING SITES; HIV INTEGRASE; HIV INTEGRASE INHIBITORS; INDOLES; LIGANDS; MODELS, MOLECULAR; PROTEIN BINDING; TETRAZOLES; WATER;

EID: 0035855917     PISSN: 00222623     EISSN: None     Source Type: Journal    
DOI: 10.1021/jm010205y     Document Type: Article

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