PyDock: Electrostatics and desolvation for effective scoring of rigid-body protein-protein docking

Proteins: Structure, Function and Genetics

Volumn 68, Issue 2, 2007, Pages 503-515

  Cheng, Tammy Man Kuang ^a   Blundell, Tom L ^a   Fernandez Recio, Juan ^b,c  

^a UNIVERSITY OF CAMBRIDGE   (United Kingdom)

^b INSTITUTE FOR RESEARCH IN BIOMEDICINE   (Spain)

^c BARCELONA SUPERCOMPUTING CENTER   (Spain)

Author keywords

ASA based desolvation; Atomic solvation parameter; Binding energy; CAPRI; Protein protein association; Rigid body docking

Indexed keywords

ARTICLE; COMPUTER PROGRAM; ELECTRICITY; ENTHALPY; GEOMETRY; MONTE CARLO METHOD; PHYSICAL CHEMISTRY; PRIORITY JOURNAL; PROTEIN PROTEIN INTERACTION; SCORING SYSTEM; SOLVATION;

CARRIER PROTEINS; ELECTROSTATICS; KINETICS; LIGANDS; MOLECULAR CONFORMATION; PROTEIN BINDING; PROTEIN CONFORMATION; RECEPTOR PROTEIN-TYROSINE KINASES; SOLUTIONS;

EID: 34250882254     PISSN: 08873585     EISSN: 10970134     Source Type: Journal    
DOI: 10.1002/prot.21419     Document Type: Article

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