A poke in the eye: Inhibiting HIV-1 protease through its flap-recognition pocket

Biopolymers

Volumn 89, Issue 8, 2008, Pages 643-652

  Damm, Kelly L ^a   Ung, Peter M U ^a   Quintero, Jerome J ^a   Gestwicki, Jason E ^a   Carlson, Heather A ^a  

^a UNIVERSITY OF MICHIGAN   (United States)

Author keywords

Allostery; HIV 1 protease; Langevin dynamics

Indexed keywords

MONOMERS;

ALLOSTERY; BOUND STATES; CLOSED STRUCTURES; DYNAMICS SIMULATIONS; EXPERIMENTAL TESTING; HIV-1 PROTEASE; INHIBITORY ACTIVITIES; LANGEVIN DYNAMICS; NEW CLASS; PHARMACOPHORE MODELING; PROTEIN FLEXIBILITY; PROTEIN STRUCTURES; RECOGNITION SITES; SMALL MOLECULES; SOLVENT MAPPING; VIRTUAL SCREENING;

FLOW INTERACTIONS;

PROTEINASE INHIBITOR; VIRUS PROTEIN; PROTEINASE;

ARTICLE; CONTROLLED STUDY; DRUG PROTEIN BINDING; DRUG STRUCTURE; ENZYME INHIBITION; HUMAN IMMUNODEFICIENCY VIRUS 1; INFORMATION PROCESSING; MOLECULAR DOCKING; MOLECULAR DYNAMICS; NONHUMAN; PHARMACOPHORE; PROTEIN INTERACTION; PROTEIN STRUCTURE; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; METABOLISM; PROTEIN SECONDARY STRUCTURE; REPRODUCIBILITY;

HUMAN IMMUNODEFICIENCY VIRUS 1;

COMPUTER SIMULATION; HIV PROTEASE; HIV PROTEASE INHIBITORS; MODELS, MOLECULAR; PROTEIN STRUCTURE, SECONDARY; REPRODUCIBILITY OF RESULTS;

EID: 52049093435     PISSN: 00063525     EISSN: 10970282     Source Type: Journal    
DOI: 10.1002/bip.20993     Document Type: Article

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