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Essential dynamics and sidechain hydrogen bond cluster studies on eosinophil cationic protein

Sanjeev, BS and Vishveshwara, S (2002) Essential dynamics and sidechain hydrogen bond cluster studies on eosinophil cationic protein. In: European Physical Journal D (EPJ D), The - Atomic,Molecular and Optical Physics, 20 (3). pp. 601-608.

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Abstract

Eosinophil Cationic Protein (ECP) is a member of RNase A superfamily which carries out the obligatory catalytic role of cleaving RNA. It is involved in a variety of biological functions. Molecular dynamics simulations followed by essential dynamics analysis on this protein are carried out with the goal of gaining insights into the dynamical properties at atomic level. The top essential modes contribute to subspaces and to the transition phase. Further, the sidechain-sidechain/sidechain-mainchain hydrogen bond clusters are analyzed in the top modes, and compared with those of crystal structure. The role of residues identified by these methods is discussed in the context of concerted motion, structure and stability of the protein.

Item Type: Journal Article
Additional Information: Copyright of this article belongs to Springer.
Department/Centre: Division of Biological Sciences > Molecular Biophysics Unit
Date Deposited: 20 Jul 2011 04:52
Last Modified: 20 Jul 2011 04:52
URI: http://eprints.iisc.ernet.in/id/eprint/39178

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