Automated ligand-and structure-based protocol for in silico prediction of human serum albumin binding

Journal of Chemical Information and Modeling

Volumn 53, Issue 4, 2013, Pages 907-922

  Hall, Michelle Lynn ^a   Jorgensen, William L ^b   Whitehead, Lewis ^a  

^a NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH   (United States)

^b YALE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; BIOCHEMISTRY; CLASSIFIERS; LINEAR REGRESSION; MOLECULES; PROTEINS;

BINDING AFFINITIES; BINDING SITE PREDICTIONS; HUMAN SERUM ALBUMINS; INTEGRAL COMPONENTS; MULTIPLE LINEAR REGRESSION METHOD; NAIVE BAYES CLASSIFIERS; PLASMA PROTEIN BINDING; SMALL-MOLECULE BINDINGS;

FORECASTING;

LIGAND; PRESCRIPTION DRUG; SERUM ALBUMIN;

ARTICLE; BAYES THEOREM; BINDING SITE; CHEMISTRY; COMPUTER PROGRAM; DRUG DEVELOPMENT; HUMAN; INTERNET; MOLECULAR DOCKING; MOLECULAR LIBRARY; MULTIVARIATE ANALYSIS; PROTEIN BINDING;

BAYES THEOREM; BINDING SITES; DRUG DISCOVERY; HUMANS; INTERNET; LIGANDS; MOLECULAR DOCKING SIMULATION; MULTIVARIATE ANALYSIS; PRESCRIPTION DRUGS; PROTEIN BINDING; SERUM ALBUMIN; SMALL MOLECULE LIBRARIES; SOFTWARE;

EID: 84876588648     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci3006098     Document Type: Article

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