Using RosettaLigand for Small Molecule Docking into Comparative Models

PLoS ONE

Volumn 7, Issue 12, 2012, Pages

  Kaufmann, Kristian W ^a,b   Meiler, Jens ^a,b  

^a VANDERBILT UNIVERSITY   (United States)

^b VANDERBILT UNIVERSITY SCHOOL OF MEDICINE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ACCURACY; APO STRUCTURE; ARTICLE; BINDING ENERGY; BINDING MODE; BINDING SITE; CHEMICAL PARAMETERS; CHEMICAL STRUCTURE; CHEMOTYPE; COMPARATIVE MODEL; COMPUTER PROGRAM; COMPUTER SIMULATION; CRYSTAL STRUCTURE; HOLO STRUCTURE; HYDROGEN BOND; LIGAND BINDING; MODEL; MOLECULAR DOCKING; PROTEIN BINDING; PROTEIN CONFORMATION; QUALITY CONTROL; ROSETTA ENERGY UNIT; SEQUENCE ANALYSIS; SMALL MOLECULAR DOCKING; STRUCTURE ANALYSIS;

COMPUTER SIMULATION; HUMANS; LIGANDS; MODELS, MOLECULAR; MOLECULAR DOCKING SIMULATION; PROTEIN BINDING; PROTEINS;

EID: 84871122167     PISSN: None     EISSN: 19326203     Source Type: Journal    
DOI: 10.1371/journal.pone.0050769     Document Type: Article

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