Group Additivity in Ligand Binding Affinity: An Alternative Approach to Ligand Efficiency

Journal of Chemical Information and Modeling

Volumn 57, Issue 12, 2017, Pages 3086-3093

  Reynolds, Charles H ^a   Reynolds, Ryan C ^a  

^a Quant Engineering   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; BINDING ENERGY; EFFICIENCY; PROTEINS;

DRUG DISCOVERY; EQUIVALENT SCHEME; GROUP ADDITIVITY; KINETIC PROPERTIES; LIGAND BINDING; LIGAND BINDING AFFINITY; NON-HYDROGEN ATOMS; PROTEIN-LIGAND BINDING AFFINITIES;

LIGANDS;

LIGAND; PROTEIN; PROTEIN BINDING;

ALGORITHM; ANIMAL; BINDING SITE; CHEMISTRY; DRUG DATABASE; DRUG DEVELOPMENT; HUMAN; METABOLISM; MOLECULAR DOCKING; PROCEDURES; PROTEIN DATABASE; THERMODYNAMICS;

ALGORITHMS; ANIMALS; BINDING SITES; DATABASES, PHARMACEUTICAL; DATABASES, PROTEIN; DRUG DISCOVERY; HUMANS; LIGANDS; MOLECULAR DOCKING SIMULATION; PROTEIN BINDING; PROTEINS; THERMODYNAMICS;

EID: 85039993856     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/acs.jcim.7b00381     Document Type: Article

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