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Study of the influence of neighboring amino acids on proline conformation

Jose Elias Cancino Herrera, Salvador Noriega, Shehret Tilvaldyev, Alfredo Villanueva Montellano, Alejandra Flores Ortega

Abstract


DFT calculations made at the B3LYP/6-31+G(d) level were used to investigate how the incorporation of a second amino acid into the backbone affects the conformational preferences of proline. Specifically, the this research studied the second amino acids L-proline and L-alanine and the trans isomerism of the peptide bonds. The lowest energy minimum has been found to have a different conformation for the two systems investigated; while the third presents a different conformation. The results obtained offer evidence of the influence of these systems on the conformational preference of proline.


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DOI: http://dx.doi.org/10.13171/mjc56/01607261513/flores-ortega

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