LigScore: A novel scoring function for predicting binding affinities

Journal of Molecular Graphics and Modelling

Volumn 23, Issue 5, 2005, Pages 395-407

  Krammer, André ^a   Kirchhoff, Paul D ^a,b   Jiang, X ^a   Venkatachalam, C M ^a   Waldman, Marvin ^a  

^a ACCELRYS INC   (United States)

^b PFIZER INC   (United States)

Author keywords

Binding affinity; Desolvation penalty; LigScore

Indexed keywords

BINDING ENERGY; CORRELATION METHODS; DATA ACQUISITION; REGRESSION ANALYSIS; VAN DER WAALS FORCES;

BINDING AFFINITY; SCORING FUNCTIONS; STANDARD DEVIATION; TRAINING DATA SETS;

PROTEINS;

RECEPTOR;

ACCURACY; ARTICLE; BINDING AFFINITY; CORRELATION COEFFICIENT; MOLECULAR INTERACTION; POLARIZATION; PREDICTION; PRIORITY JOURNAL; PROTEIN FAMILY; REGRESSION ANALYSIS; SCORING SYSTEM; SOLVATION;

ALGORITHMS; DATABASES, PROTEIN; KINETICS; LIGANDS; MODELS, STATISTICAL; PROTEIN BINDING; RECEPTORS, CELL SURFACE; REGRESSION ANALYSIS; THERMODYNAMICS;

EID: 15244346501     PISSN: 10933263     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jmgm.2004.11.007     Document Type: Article

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