Geometric Modelling and Analysis of the Amino Acid: Phenylalanine

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Tarih

2023

Dergi Başlığı

Dergi ISSN

Cilt Başlığı

Yayıncı

International Journal of Advances in Scientific Research and Engineering

Erişim Hakkı

info:eu-repo/semantics/openAccess
Attribution-NonCommercial-NoDerivs 3.0 United States

Özet

L-phenylalanine (Phe), an essential amino acid, is necessary for the synthesis of proteins such as catecholamine and melanin, and is also the precursor of the amino acid L-tyrosine (Tyr). In this paper, optimized structures of Phe, were calculated by using semiempirical models such as AM1, PM3 and MNDO; Density Functional models (DFT) at B3LYP and Hartreefock methods (HF) with 6-311++G (d,p) level. The energies and geometric parameters of Kaempferol were also determined.

Açıklama

Anahtar Kelimeler

DFT, Geometric analysis, HF, Phenylalanine

Kaynak

International Journal of Advances in Scientific Research and Engineering

WoS Q Değeri

Scopus Q Değeri

Cilt

9

Sayı

5

Künye