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Molecular dynamics studies on nucleoside 2',3'-cyclic phosphates

Seshadri, K and Rao, VS and Vishveshwara, S (1992) Molecular dynamics studies on nucleoside 2',3'-cyclic phosphates. In: Journal of Biomolecular Structure & Dynamics, 9 (6). pp. 1253-1268.

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2',3'-cyclic nucleotides are intermediates and substrates of Ribonuclease (RNase)-catalysed reactions. The characterization of the equilibrium conformation as well as the flexibility inherent in these molecules helps in understanding the enzymatic action of RNases. The present study explores parameters like phase angle, glycosydic torsion angle and hydrogen bond to find possible interrelationship between them through Molecular Dynamics (MD) simulations on 3'-GMP, 3'-UMP, A>p, G>p, U>p, C>p, GpA>p and UpA>p. Interesting results of the effect of cyclisation and other constraints such as hydrogen bond between certain groups on the equilibrium ribose conformation have emerged from this study.

Item Type: Journal Article
Publication: Journal of Biomolecular Structure & Dynamics
Publisher: Adenine Press
Additional Information: Copyright of this article belongs to Adenine Press.
Department/Centre: Division of Biological Sciences > Molecular Biophysics Unit
Date Deposited: 05 May 2011 05:51
Last Modified: 05 May 2011 05:51
URI: http://eprints.iisc.ac.in/id/eprint/37245

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