Thermodynamic resolution: How do errors in modeled protein structures aeffect binding affinity predictions?

Proteins: Structure, Function and Bioinformatics

Volumn 78, Issue 7, 2010, Pages 1613-1617

  Singh, Manoj Kumar ^a   Dominy, Brian N ^a  

^a CLEMSON UNIVERSITY   (United States)

Author keywords

Drug design; Homology modeling; Ligand binding; MM GBSA; Molecular dynamics; RMSD

Indexed keywords

ARTICLE; BINDING AFFINITY; BINDING SITE; CRYSTAL STRUCTURE; LIGAND BINDING; PRIORITY JOURNAL; PROTEIN BINDING; PROTEIN STRUCTURE; THERMODYNAMICS;

CRYSTALLOGRAPHY, X-RAY; MODELS, CHEMICAL; MOLECULAR DYNAMICS SIMULATION; PROTEIN BINDING; PROTEIN CONFORMATION; PROTEINS; STRUCTURAL HOMOLOGY, PROTEIN; THERMODYNAMICS;

EID: 77951238793     PISSN: 08873585     EISSN: 10970134     Source Type: Journal    
DOI: 10.1002/prot.22691     Document Type: Article

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