Next generation 3D pharmacophore modeling
نویسندگان
چکیده
منابع مشابه
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: WIREs Computational Molecular Science
سال: 2020
ISSN: 1759-0876,1759-0884
DOI: 10.1002/wcms.1468