Calculated conformer energies for organic molecules with multiple polar functionalities are method dependent: Taxol (case study)

BACKGROUND: Molecular mechanics (MM) and quantum chemical (QM) calculations are widely applied and powerful tools for the stereochemical and conformational investigations of molecules. The same methods have been extensively used to probe the conformational profile of Taxol (Figure 1) both in solutio...

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Detalles Bibliográficos
Autores principales: Lakdawala, Ami, Wang, Minmin, Nevins, Neysa, Liotta, Dennis C, Rusinska-Roszak, Danuta, Lozynski, Marek, Snyder, James P
Formato: Texto
Lenguaje:English
Publicado: BioMed Central 2001
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC59844/
https://www.ncbi.nlm.nih.gov/pubmed/11710970
http://dx.doi.org/10.1186/1472-6769-1-2

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC59844/
https://www.ncbi.nlm.nih.gov/pubmed/11710970
http://dx.doi.org/10.1186/1472-6769-1-2

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