An exploratory ab initio study on the conformations of ethylguanidine in its neutral [CH3-CH2-NH-C(=NH)NH2] and protonated [CH3-CH2-NH-C(NH2)2] forms

To explore the conformation intricacies of the guanidine group in the arginine side chain, ab initio computations have been carried out with ethylguanidine and the ethyl guanidinium ion. HF computations have been performed using 3-21G and 6-31G basis sets and DFT calculations were carried out at the...

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Veröffentlicht in:	Canadian journal of chemistry 2000-05, Vol.78 (5), p.626-641
Hauptverfasser:	Mak, Melody L, Salpietro, Salvatore J, Enriz, R Daniel, Csizmadia, Imre G
Format:	Artikel
Sprache:	eng
Schlagworte:	Amino acids Chemistry Ions Molecular biology
Online-Zugang:	Volltext
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