Tryptophan–water interaction in Monellin: Hydration patterns from molecular dynamics simulation

Hansia, Priti and Vishveshwara, Saraswathi and Pal, Samir Kumar (2006) Tryptophan–water interaction in Monellin: Hydration patterns from molecular dynamics simulation. In: Chemical Physics Letters, 420 (4-6). pp. 512-517.

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Abstract

Femtosecond spectroscopy carried out earlier on Monellin and some other systems has given insights into the hydration dynamics of the proteins. In the present work, molecular dynamics simulations have been performed on Monellin to study the hydration dynamics. A method has been described to follow up the molecular events of the protein–water interactions in detail. The time constants of the survival correlation function match well with the reported experimental values. This validates the procedure, adapted here for Monellin, to investigate the hydration dynamics in general.

Item Type:	Journal Article
Publication:	Chemical Physics Letters
Publisher:	Elsevier
Additional Information:	This Copyright belongs to Elsevier.
Department/Centre:	Division of Biological Sciences > Molecular Biophysics Unit
Date Deposited:	17 Apr 2006
Last Modified:	19 Sep 2010 04:25
URI:	http://eprints.iisc.ac.in/id/eprint/6306

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