Automated docking to multiple target structures: Incorporation of protein mobility and structural water heterogeneity in autodock

Proteins: Structure, Function and Genetics

Volumn 46, Issue 1, 2002, Pages 34-40

  Österberg, Fredrik ^a   Morris, Garrett M ^a   Sanner, Michel F ^a   Olson, Arthur J ^a   Goodsell, David S ^a  

^a SCRIPPS RESEARCH INSTITUTE   (United States)

Author keywords

HIV 1; Peptidomimetic inhibitors; Protein flexibility

Indexed keywords

ARGININE; PROTEINASE; PROTEINASE INHIBITOR; WATER;

ACCURACY; ANALYTIC METHOD; ARTICLE; AUTOANALYSIS; COMPLEX FORMATION; COMPUTER PROGRAM; COMPUTER SIMULATION; CONTROLLED STUDY; ENERGY; ENZYME INHIBITOR INTERACTION; HUMAN IMMUNODEFICIENCY VIRUS 1; LIGAND BINDING; NONHUMAN; PRIORITY JOURNAL; PROTEIN STRUCTURE; STRUCTURE ACTIVITY RELATION; VALIDATION PROCESS;

COMPUTER SIMULATION; LIGANDS; MOTION; PLIABILITY; PROTEIN CONFORMATION; PROTEINS; WATER;

HUMAN IMMUNODEFICIENCY VIRUS; HUMAN IMMUNODEFICIENCY VIRUS 1;

EID: 0036137713     PISSN: 08873585     EISSN: None     Source Type: Journal    
DOI: 10.1002/prot.10028     Document Type: Article

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