Molecular Speciation Effect on Docking and Drug Design. A Computational Study for Mangiferin, a Carbohydrate-Polyphenol Bioconjugate as a Test Case
A study to evaluate the effect of molecular speciation consideringmethodologies to assign partial charges and conformationalsearch processes for a docking test was made with mangiferin (MGF).This compound was selected as a model to explore speciation effectson drug design due to the speciation studi...
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| Pubblicato in: | Journal of the Mexican Chemical Society |
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| Autori principali: | , , , , , |
| Natura: | Artigo |
| Lingua: | Inglês |
| Pubblicazione: |
Sociedad Química de México
2008
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| Soggetti: | |
| Accesso online: | https://www.redalyc.org/articulo.oa?id=47552112 |
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