Parameterization and Application of the General Amber Force Field to Model Fluoro Substituted Furanose Moieties and Nucleosides

Molecular mechanics force field calculations have historically shown significant limitations in modeling the energetic and conformational interconversions of highly substituted furanose rings. This is primarily due to the gauche effect that is not easily captured using pairwise energy potentials. In...

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Detalles Bibliográficos
Autores principales: Escalante, Diego E., Aldrich, Courtney C., Ferguson, David M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9101125/
https://www.ncbi.nlm.nih.gov/pubmed/35565967
http://dx.doi.org/10.3390/molecules27092616

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9101125/
https://www.ncbi.nlm.nih.gov/pubmed/35565967
http://dx.doi.org/10.3390/molecules27092616

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