Evaluation of docking programs for predicting binding of Golgi α-mannosidase II inhibitors: A comparison with crystallography

Proteins: Structure, Function and Genetics

Volumn 69, Issue 1, 2007, Pages 160-176

  Englebienne, Pablo ^a   Fiaux, Héléne ^a,b   Kuntz, Douglas A ^c   Corbeil, Christopher R ^a   Gerber Lemaire, Sandrine ^b   Rose, David R ^c   Moitessier, Nicolas ^a  

^a MCGILL UNIVERSITY   (Canada)

^b INSTITUTE OF CHEMICAL SCIENCES AND ENGINEERING   (Switzerland)

^c UNIVERSITY OF TORONTO   (Canada)

Author keywords

Crystal structure; FITTED; Glide; Scoring; Virtual screening

Indexed keywords

1 DEOXYMANNONOJIRIMYCIN; ALPHA MANNOSIDASE; ENZYME INHIBITOR; KIFUNENSINE; PHENYLGLYCINOL; PYRROLIDINE DERIVATIVE; SALACINOL; SWAINSONINE; UNCLASSIFIED DRUG; ZINC;

ACCURACY; ARTICLE; ATOM; COMPUTER PROGRAM; DROSOPHILA MELANOGASTER; DRUG STRUCTURE; GOLGI COMPLEX; IC 50; MOLECULAR DOCKING; PRIORITY JOURNAL; SCORING SYSTEM; X RAY CRYSTALLOGRAPHY;

ALGORITHMS; BINDING SITES; COMPUTATIONAL BIOLOGY; CRYSTALLOGRAPHY, X-RAY; DRUG DESIGN; ENZYME INHIBITORS; MANNOSIDASES; MODELS, MOLECULAR; PROTEIN CONFORMATION; SOFTWARE; STRUCTURE-ACTIVITY RELATIONSHIP;

DROSOPHILA MELANOGASTER;

EID: 34548304863     PISSN: 08873585     EISSN: 10970134     Source Type: Journal    
DOI: 10.1002/prot.21479     Document Type: Article

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