Characterizing binding of small molecules. II. Evaluating the potency of small molecules to combat resistance based on docking structures

Journal of Chemical Information and Modeling

Volumn 53, Issue 5, 2013, Pages 1213-1222

  Ding, Bo ^a   Li, Nan ^a   Wang, Wei ^a,b  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DIAGNOSIS; MOLECULES;

DRUG DISCOVERY; DRUG LEADS; DRUG RESISTANCE; HIV-1 PROTEASE; MOLECULAR INTERACTION ENERGY; SMALL MOLECULES; THERAPEUTIC TREATMENTS; VIRTUAL SCREENING;

SUPPORT VECTOR MACHINES;

HUMAN IMMUNODEFICIENCY VIRUS PROTEINASE; HUMAN IMMUNODEFICIENCY VIRUS PROTEINASE INHIBITOR; P16 PROTEASE, HUMAN IMMUNODEFICIENCY VIRUS 1; MOLECULAR LIBRARY;

ANTIVIRAL RESISTANCE; ARTICLE; CHEMISTRY; DRUG EFFECT; ENZYMOLOGY; GENETICS; HUMAN IMMUNODEFICIENCY VIRUS 1; METABOLISM; MOLECULAR DOCKING; MOLECULAR DYNAMICS; MOLECULAR LIBRARY; MUTATION; PROTEIN CONFORMATION; SUPPORT VECTOR MACHINE; THERMODYNAMICS; DRUG EFFECTS; PHARMACOLOGY;

DRUG RESISTANCE, VIRAL; HIV PROTEASE; HIV PROTEASE INHIBITORS; HIV-1; MOLECULAR DOCKING SIMULATION; MOLECULAR DYNAMICS SIMULATION; MUTATION; PROTEIN CONFORMATION; SMALL MOLECULE LIBRARIES; SUPPORT VECTOR MACHINES; THERMODYNAMICS;

EID: 84878176071     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci400011c     Document Type: Article

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