Cooperative fluctuations of unliganded and substrate-bound HIV-1 protease: A structure-based analysis on a variety of conformations from crystallography and molecular dynamics simulations

Proteins: Structure, Function and Genetics

Volumn 51, Issue 3, 2003, Pages 409-422

  Kurt, Nese ^a,c   Scott, Walter R P ^d   Schiffer, Celia A ^b   Haliloglu, Turkan ^a  

^a BOGAZICI UNIVERSITY   (Turkey)

^b UNIVERSITY OF MASSACHUSETTS MEDICAL SCHOOL   (United States)

^c UNIVERSITY OF WISCONSIN MADISON   (United States)

^d UNIVERSITY OF BRITISH COLUMBIA   (Canada)

Author keywords

Correlations; Functional motions; Gaussian network model; Global motions; Mobility; Molecular dynamics; Principal modes; Residue fluctuations

Indexed keywords

BINDING PROTEIN; PROTEINASE; VIRUS ENZYME;

ARTICLE; CONFORMATIONAL TRANSITION; CORRELATION ANALYSIS; CORRELATION COEFFICIENT; CRYSTAL STRUCTURE; CRYSTALLOGRAPHY; ENZYME ACTIVE SITE; ENZYME SUBSTRATE; GAUSSIAN NETWORK MODEL; HUMAN IMMUNODEFICIENCY VIRUS 1; LIGAND BINDING; MOLECULAR DYNAMICS; MOLECULAR MODEL; NONHUMAN; PRINCIPAL COMPONENT ANALYSIS; PRIORITY JOURNAL; PROTEIN CONFORMATION; PROTEIN STABILITY; PROTEIN STRUCTURE; STRUCTURE ANALYSIS;

BINDING SITES; COMPUTER SIMULATION; CRYSTALLOGRAPHY, X-RAY; HIV PROTEASE; LIGANDS; MODELS, MOLECULAR; PROTEIN BINDING; PROTEIN CONFORMATION; PROTEIN STRUCTURE, TERTIARY; SUBSTRATE SPECIFICITY;

HUMAN IMMUNODEFICIENCY VIRUS 1;

EID: 0037963159     PISSN: 08873585     EISSN: None     Source Type: Journal    
DOI: 10.1002/prot.10350     Document Type: Article

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