Phoenix: A scoring function for affinity prediction derived using high-resolution crystal structures and calorimetry measurements

Journal of Chemical Information and Modeling

Volumn 51, Issue 2, 2011, Pages 214-228

  Tang, Yat T ^a   Marshall, Garland R ^a  

^a WASHINGTON UNIVERSITY SCHOOL OF MEDICINE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CALORIMETERS; CALORIMETRY; COMPLEXATION; CORRELATION METHODS; CRYSTAL STRUCTURE; CRYSTALS; ENTHALPY; ENTROPY; FORECASTING; FREE ENERGY; ISOTHERMS; LEAST SQUARES APPROXIMATIONS; LIGANDS; PROTEINS; STRUCTURAL DESIGN; TITRATION; X RAY CRYSTALLOGRAPHY; X RAYS;

HIGH RESOLUTION CRYSTAL STRUCTURE; ISOTHERMAL TITRATION CALORIMETRY; PARTIAL LEAST SQUARE (PLS); PEARSON CORRELATION COEFFICIENTS; PROTEIN-LIGAND COMPLEXES; STRUCTURE BASED DRUG DESIGNS; X RAY CRYSTAL STRUCTURES; X-RAY CRYSTALLOGRAPHIC STRUCTURES;

BINDING ENERGY;

PROTEIN;

ARTICLE; BIOLOGY; CALORIMETRY; DRUG DESIGN; METABOLISM; METHODOLOGY; PROTEIN DATABASE; REGRESSION ANALYSIS; REPRODUCIBILITY; STRUCTURE ACTIVITY RELATION; THERMODYNAMICS; X RAY CRYSTALLOGRAPHY;

CALORIMETRY; COMPUTATIONAL BIOLOGY; CRYSTALLOGRAPHY, X-RAY; DATABASES, PROTEIN; DRUG DESIGN; LEAST-SQUARES ANALYSIS; PROTEINS; REPRODUCIBILITY OF RESULTS; STRUCTURE-ACTIVITY RELATIONSHIP; THERMODYNAMICS;

EID: 79952148691     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci100257s     Document Type: Article

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