The effect of CH sub(3), F and NO sub(2) substituents on the individual hydrogen bond energies in the adenine-thymine and guanine-cytosine base pairs

The substituent effects on the geometrical parameters and the individual hydrogen bond (HB) energies of base pairs such as X-adenine-thymine (X-A-T), X-thymine-adenine (X-T-A), X-guanine-cytosine (X-G-C), and X-cytosine-guanine (X-C-G) have been studied by the quantum mechanical calculations at the...

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Veröffentlicht in:	Journal of computer-aided molecular design 2010-05, Vol.24 (5), p.409-416
Hauptverfasser:	Ebrahimi, A, Habibi Khorassani, SM, Delarami, H, Esmaeeli, H
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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