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An accurate DFT study within conformational survey of the d-form serine−alanine protected dipeptide
The conformational analysis of n-formyl-d-serine-d-alanine-NH(2) dipeptide was studied using density functional theory methods at B3LYP, B3LYP‒D3, and M06‒2X levels using 6‒311 + G (d,p) basis set in the gas and water phases. 87 conformers of 243 stable ones were located and the rest of them were mi...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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Springer International Publishing
2023
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10571400/ https://www.ncbi.nlm.nih.gov/pubmed/37828563 http://dx.doi.org/10.1186/s13065-023-01051-9 |