ROSETTALIGAND: Protein-small molecule docking with full side-chain flexibility

Proteins: Structure, Function and Genetics

Volumn 65, Issue 3, 2006, Pages 538-548

  Meiler, Jens ^a   Baker, David ^b,c  

^a VANDERBILT UNIVERSITY SCHOOL OF MEDICINE   (United States)

^b UNIVERSITY OF WASHINGTON   (United States)

^c UNIVERSITY OF WASHINGTON SCHOOL OF MEDICINE   (United States)

Author keywords

Binding energy; Docking; Monte Carlo minimization; Protein ligand docking; ROSETTA

Indexed keywords

GLYCEROPHOSPHATE; LIVER X RECEPTOR; TRIOSEPHOSPHATE ISOMERASE;

ALGORITHM; ARTICLE; BINDING SITE; COMPLEX FORMATION; COMPUTER PROGRAM; CRYSTAL STRUCTURE; ELECTRICITY; HYDROGEN BOND; LIGAND BINDING; MONTE CARLO METHOD; PRIORITY JOURNAL; SOLVATION;

ALGORITHMS; BINDING SITES; MODELS, MOLECULAR; MONTE CARLO METHOD; PROTEIN CONFORMATION; PROTEINS; THERMODYNAMICS;

EID: 33750056673     PISSN: 08873585     EISSN: 10970134     Source Type: Journal    
DOI: 10.1002/prot.21086     Document Type: Article

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