Tautomerism in structure-based 3D pharmacophore modeling

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Tautomerism in structure-based 3D pharmacophore modeling

Tautomeric rearrangements on molecules lead to distinct equilibrated structural states of the same chemical compound, and evidently, have an impact on nearly all aspects of computer-aided chemical data processing [1] where the knowledge of the exact chemical structure is required (e.g. the calculation of chemical properties or interpretation of ligand-protein interactions). Although tautomerism...

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ژورنال

عنوان ژورنال: Chemistry Central Journal

سال: 2008

ISSN: 1752-153X

DOI: 10.1186/1752-153x-2-s1-p11