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BCL::EMAS — Enantioselective Molecular Asymmetry Descriptor for 3D-QSAR

Stereochemistry is an important determinant of a molecule’s biological activity. Stereoisomers can have different degrees of efficacy or even opposing effects when interacting with a target protein. Stereochemistry is a molecular property difficult to represent in 2D-QSAR as it is an inherently thre...

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Detalles Bibliográficos
Autores principales:	Sliwoski, Gregory, Lowe, Edward W., Butkiewicz, Mariusz, Meiler, Jens
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2012
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3805266/ https://www.ncbi.nlm.nih.gov/pubmed/22907158 http://dx.doi.org/10.3390/molecules17089971

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