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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Detalhes bibliográficos

Publicado no:	BMC Chem Biol
Principais autores:	Lakdawala, Ami, Wang, Minmin, Nevins, Neysa, Liotta, Dennis C, Rusinska-Roszak, Danuta, Lozynski, Marek, Snyder, James P
Formato:	Artigo
Idioma:	Inglês
Publicado em:	BMC 2001
Assuntos:	Research Article
Acesso em linha:	https://ncbi.nlm.nih.govhttps://pmc.ncbi.nlm.nih.gov/articles/PMC59844/ https://ncbi.nlm.nih.govhttps://pubmed.ncbi.nlm.nih.gov/11710970/ https://ncbi.nlm.nih.govhttps://doi.org/10.1186/1472-6769-1-2
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