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Molecular dynamics simulations of modelled angiogenin-mononucleotide complexes

Madhusudhan, MS and Vishveshwara, S (2000) Molecular dynamics simulations of modelled angiogenin-mononucleotide complexes. In: Current Science, 78 (7). pp. 852-857.

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Angiogenin, a protein belonging to the RNase superfamily stimulates the formation of blood vessels. For its biological activity, it also has to catalyse the cleavage of single- stranded RNA. Though experimental structures are known for the native protein, ligand-bound complexes of the protein at atomic detail have only been modelled recently. In the present study these modelled mononucleotide-bound angiogenin complexes have been subjected to ins of molecular dynamics simulations. The structures obtained from the simulation are analysed for stability of the complexes and identifying persistent ligand- protein interactions. The results of the simulation are encouragingly similar to experimental observations. The present simulation studies indicate that the modelled complexes are stable and can thus be used as starting structures for further research on binding and catalysis.

Item Type: Journal Article
Publication: Current Science
Publisher: Indian Academy Sciences
Additional Information: Copyright of this article belongs to Indian Academy of Sciences.
Department/Centre: Division of Biological Sciences > Molecular Biophysics Unit
Date Deposited: 21 Sep 2004
Last Modified: 27 Aug 2008 11:07
URI: http://eprints.iisc.ac.in/id/eprint/1789

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