Receptor independent and receptor dependent CoMSA modeling with IVE-PLS: Application to CBG benchmark steroids and reductase activators

Journal of Molecular Modeling

Volumn 15, Issue 1, 2009, Pages 41-51

  Magdziarz, Tomasz ^a   Mazur, Pawel ^a   Polanski, Jaroslaw ^a  

^a UNIVERSITY OF SILESIA   (Poland)

Author keywords

CoMSA; IVE PLS; Molecular surface analysis; Receptor dependent 3D QSAR; Reductase activators; Sulforaphane

Indexed keywords

ENZYME ACTIVATOR; OXIDOREDUCTASE; QUINONE DERIVATIVE; STEROID; SULFORAPHANE; TRANSCORTIN;

ARTICLE; CHEMICAL STRUCTURE; COMPARATIVE MOLECULAR SURFACE ANALYSIS; ITERATIVE VARIABLE ELIMINATION; LIPOPHILICITY; MOLECULAR DOCKING; MOLECULAR MODEL; PRIORITY JOURNAL; QUALITY CONTROL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; SURFACE PROPERTY;

ENZYME ACTIVATORS; MODELS, MOLECULAR; MOLECULAR STRUCTURE; NAD(P)H DEHYDROGENASE (QUINONE); STRUCTURE-ACTIVITY RELATIONSHIP; SURFACE PROPERTIES; THIOCYANATES;

EID: 56949094880     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-008-0373-1     Document Type: Article

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