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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...
| Autores principales: | , , , , , , |
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| Formato: | Texto |
| Lenguaje: | English |
| Publicado: |
BioMed Central
2001
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| Materias: | |
| 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 |