Coarse-grained molecular dynamics of ligands binding into protein: The case of HIV-1 protease inhibitors

Journal of Chemical Physics

Volumn 130, Issue 21, 2009, Pages

  Li, Dechang ^a   Liu, Ming S ^b,c   Ji, Baohua ^a,e   Hwang, Kehchih ^a   Huang, Yonggang ^d  

^a TSINGHUA UNIVERSITY   (China)

^b SWINBURNE UNIVERSITY OF TECHNOLOGY   (Australia)

^c CSIRO   (Australia)

^d Northwestern University   (United States)

^e BEIJING INSTITUTE OF TECHNOLOGY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

AREA METHOD; BINDING CAVITY; BINDING DYNAMICS; BINDING MODES; BINDING PROCESS; COARSE-GRAINED; COARSE-GRAINED MOLECULAR DYNAMICS; DRIVING FORCES; HIV-1 PROTEASE INHIBITORS; HUMAN IMMUNODEFICIENCY VIRUS TYPE-1; INTERACTION STRENGTH; POISSON-BOLTZMANN; POTENT DRUGS; TARGET PROTEINS;

BINDING ENERGY; DRUG INTERACTIONS; LIGANDS; MOLECULAR DYNAMICS; MOLECULAR MECHANICS;

DYNAMICS;

LIGAND; PROTEINASE; PROTEINASE INHIBITOR;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; HUMAN IMMUNODEFICIENCY VIRUS 1; KINETICS; METABOLISM; PROTEIN BINDING; PROTEIN CONFORMATION; THERMODYNAMICS;

HIV PROTEASE; HIV PROTEASE INHIBITORS; HIV-1; KINETICS; LIGANDS; MODELS, MOLECULAR; PROTEIN BINDING; PROTEIN CONFORMATION; THERMODYNAMICS;

EID: 67249128279     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3148022     Document Type: Article

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