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Comparative residue interaction analysis (CoRIA): a 3D-QSAR approach to explore the binding contribu...

Comparative residue interaction analysis (CoRIA): a 3D-QSAR approach to explore the binding contribu...

https://devfeature-collection.sl.nsw.gov.au/record/TN_cdi_proquest_miscellaneous_68127451

Comparative residue interaction analysis (CoRIA): a 3D-QSAR approach to explore the binding contributions of active site residues with ligands

About this item

Full title

Comparative residue interaction analysis (CoRIA): a 3D-QSAR approach to explore the binding contributions of active site residues with ligands

Publisher

Netherlands: Springer Nature B.V

Journal title

Journal of computer-aided molecular design, 2006-06, Vol.20 (6), p.343-360

Language

English

Formats

Publication information

Publisher

Netherlands: Springer Nature B.V

More information

Scope and Contents

Contents

A novel approach termed comparative residue-interaction analysis (CoRIA), emphasizing the trends and principles of QSAR in a ligand-receptor environment has been developed to analyze and predict the binding affinity of enzyme inhibitors. To test this new approach, a training set of 36 COX-2 inhibitors belonging to nine families was selected. The pu...

Alternative Titles

Full title

Comparative residue interaction analysis (CoRIA): a 3D-QSAR approach to explore the binding contributions of active site residues with ligands

Identifiers

Primary Identifiers

Record Identifier

TN_cdi_proquest_miscellaneous_68127451

Permalink

https://devfeature-collection.sl.nsw.gov.au/record/TN_cdi_proquest_miscellaneous_68127451

Other Identifiers

ISSN

0920-654X

E-ISSN

1573-4951

DOI

10.1007/s10822-006-9051-5

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