Multitemplate alignment method for the development of a reliable 3D-QSAR model for the analysis of mmp3 inhibitors

Journal of Chemical Information and Modeling

Volumn 49, Issue 7, 2009, Pages 1715-1724

  Tuccinardi, Tiziano ^a,b   Ortore, Gabriella ^a   Santos, M Amélia ^c   Marques, Sérgio M ^c   Nuti, Elisa ^a   Rossello, Armando ^a   Martinelli, Adriano ^a  

^a UNIVERSITY OF PISA   (Italy)

^b TEMPLE UNIVERSITY   (United States)

^c INSTITUTO SUPERIOR TÉCNICO   (Portugal)

Author keywords

[No Author keywords available]

Indexed keywords

3D MODELING; ALIGNMENT; LIGANDS; MOLECULAR GRAPHICS;

3D-QSAR; ALIGNMENT METHODS; BENZENESULFONAMIDE; HYDROXAMATE; IN-VITRO; NANOMOLAR; PREDICTIVE ABILITIES; TEST SETS;

COMPUTATIONAL CHEMISTRY;

LIGAND; STROMELYSIN;

ARTICLE; BINDING SITE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; DRUG ANTAGONISM; DRUG DESIGN; HUMAN; METABOLISM; PROTEIN CONFORMATION; QUANTITATIVE STRUCTURE ACTIVITY RELATION; X RAY CRYSTALLOGRAPHY;

BINDING SITES; COMPUTER SIMULATION; CRYSTALLOGRAPHY, X-RAY; DRUG DESIGN; HUMANS; LIGANDS; MATRIX METALLOPROTEINASE 3; MODELS, CHEMICAL; MODELS, MOLECULAR; MOLECULAR STRUCTURE; PROTEIN CONFORMATION; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 68149149512     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci900118v     Document Type: Article

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