Treating chemical diversity in QSAR analysis: modeling diverse HIV-1 integrase inhibitors using 4D fingerprints.

Iyer, Manisha; Hopfinger, A J

Iyer, Manisha; Hopfinger, A J.

Affiliation

Iyer M; Laboratory of Molecular Modeling and Design (MC 781), College of Pharmacy, University of Illinois at Chicago, 833 South Wood Street, Chicago, Illinois 60612-7231, USA.

J Chem Inf Model ; 47(5): 1945-60, 2007.

Article in En | MEDLINE | ID: mdl-17661457

Subject(s)

HIV Integrase Inhibitors/chemistry; HIV Integrase/chemistry; Algorithms; Binding Sites; Cluster Analysis; Coumarins/chemistry; Coumarins/pharmacology; Depsides/chemistry; HIV Integrase Inhibitors/pharmacology; Models, Chemical; Peptide Mapping; Quantitative Structure-Activity Relationship; Reproducibility of Results; Thermodynamics

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Collection: 01-internacional Database: MEDLINE Main subject: HIV Integrase Inhibitors / HIV Integrase Type of study: Prognostic_studies Language: En Journal: J Chem Inf Model Journal subject: INFORMATICA MEDICA / QUIMICA Year: 2007 Document type: Article Affiliation country: United States

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