Quantum chemical studies on the conformational structure of nucleic acids II. EHT and CNDO calculations on the puckering of D-ribose

Govil, Girjesh ; Saran, Anil (1971) Quantum chemical studies on the conformational structure of nucleic acids II. EHT and CNDO calculations on the puckering of D-ribose Journal of Theoretical Biology, 33 (2). pp. 399-406. ISSN 0022-5193

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Official URL: http://linkinghub.elsevier.com/retrieve/pii/002251...

Related URL: http://dx.doi.org/10.1016/0022-5193(71)90073-7

Abstract

The extended Hückel theory (EHT) and complete neglect of differential overlap (CNDO) methods have been used to calculate the minimum energy conformations of the sugar rings in D-ribose. A C3'-endo structure with a small puckering of C2' atom on the opposite side is predicted to be the most stable structure. Most of the experimental data lie in the theoretically predicted regions of high stability. The conformational structure of the chain depends, to a certain extent, on the conformations of the sugar ring.

Item Type:Article
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ID Code:15569
Deposited On:13 Nov 2010 09:28
Last Modified:13 Nov 2010 09:28

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