Structure-based identification of small molecule binding sites using a free energy model

Journal of Chemical Information and Modeling

Volumn 46, Issue 6, 2006, Pages 2631-2637

  Coleman, Ryan G ^a,b,d   Salzberg, Anna C ^c,e   Cheng, Alan C ^a,c,f  

^a PFIZER GLOBAL RESEARCH AND DEVELOPMENT   (United States)

^b TUFTS UNIVERSITY   (United States)

^c BRANDEIS UNIVERSITY   (United States)

^d UNIVERSITY OF PENNSYLVANIA   (United States)

^e PFIZER INC   (United States)

^f AMGEN INC   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ADDITIVES; DRUG PRODUCTS; FREE ENERGY; MATHEMATICAL MODELS; PROTEINS; STATISTICAL METHODS;

DESOLVATION; DRUGGABILITY AFFINITY; MOLECULE BINDING SITES; PHYSIOCHEMICAL PROPERTY;

MOLECULES;

LIGAND; MITOGEN ACTIVATED PROTEIN KINASE 14;

AMINO ACID SEQUENCE; ARTICLE; BINDING SITE; CHEMICAL STRUCTURE; CHEMISTRY; DRUG DESIGN; METHODOLOGY; MOLECULAR GENETICS; PHARMACEUTICS; PROTEIN BINDING; PROTEIN CONFORMATION; PROTEIN DATABASE; THEORETICAL MODEL; THERMODYNAMICS;

ALLOSTERIC SITE; AMINO ACID SEQUENCE; BINDING SITES; CHEMISTRY, PHARMACEUTICAL; DATABASES, PROTEIN; DRUG DESIGN; LIGANDS; MITOGEN-ACTIVATED PROTEIN KINASE 14; MODELS, MOLECULAR; MODELS, THEORETICAL; MOLECULAR SEQUENCE DATA; PROTEIN BINDING; PROTEIN CONFORMATION; TECHNOLOGY, PHARMACEUTICAL; THERMODYNAMICS;

EID: 33845806987     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci600229z     Document Type: Article

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