PSI-DOCK: Towards highly efficient and accurate flexible ligand docking

Proteins: Structure, Function and Genetics

Volumn 62, Issue 4, 2006, Pages 934-946

  Pei, Jianfeng ^b   Wang, Qi ^b   Liu, Zhenming ^b   Li, Qingliang ^b   Yang, Kun ^b   Lai, Luhua ^a  

^a PEKING UNIVERSITY   (China)

^b NONE

Author keywords

Docking, SCORE 3.0; Drug design; Message passing interface (MPI); PSI DOCK; Scoring; Virtual screening

Indexed keywords

DOCKING PROTEIN;

ACCURACY; ARTICLE; CALCULATION; COMPUTER PREDICTION; COMPUTER PROGRAM; CORRELATION COEFFICIENT; ENERGY TRANSFER; GENETIC ALGORITHM; LIGAND BINDING; NONHUMAN; POSE SENSITIVE INCLINED LIGAND DOCKING; PRIORITY JOURNAL; PROTEIN BINDING; REPRODUCIBILITY;

ALGORITHMS; BINDING SITES; ENTROPY; LIGANDS; METALS; PROTEINS; REPRODUCIBILITY OF RESULTS; THERMODYNAMICS;

EID: 33644843080     PISSN: 08873585     EISSN: 10970134     Source Type: Journal    
DOI: 10.1002/prot.20790     Document Type: Article

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