Comparing the quality and predictiveness between 3D QSAR models obtained from manual and automated alignment

Journal of Chemical Information and Computer Sciences

Volumn 44, Issue 3, 2004, Pages 807-816

  Tervo, Anu J ^a,b   Nyrönen, Tommi H ^b   Rönkkö, Toni ^a   Poso, Antti ^a  

^a UNIVERSITY OF EASTERN FINLAND   (Finland)

^b CSC Scientific Computing Ltd   (Finland)

Author keywords

[No Author keywords available]

Indexed keywords

AMINO ACIDS; CONFORMATIONS; CRYSTALLIZATION; IMMUNOLOGY; INFORMATION ANALYSIS; UREA; X RAY ANALYSIS;

AUTOMATED ALIGNMENT; MANUAL METHODS; MOLECULAR DOCKING; X-RAY STRUCTURES;

ENZYME INHIBITION;

PROTEINASE INHIBITOR; UREA;

ARTICLE; BINDING SITE; CHEMICAL MODEL; CHEMISTRY; QUANTITATIVE STRUCTURE ACTIVITY RELATION; VALIDATION STUDY; X RAY DIFFRACTION;

BINDING SITES; HIV PROTEASE INHIBITORS; MODELS, CHEMICAL; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; UREA; X-RAY DIFFRACTION;

EID: 2942704297     PISSN: 00952338     EISSN: None     Source Type: Journal    
DOI: 10.1021/ci0342268     Document Type: Article

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