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Please use this identifier to cite or link to this item: http://hdl.handle.net/2289/7242
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dc.contributor.authorAishwarya, S.-
dc.contributor.authorRajkamal-
dc.contributor.authorVijayaraghavan, D.-
dc.date.accessioned2019-07-11T16:00:06Z-
dc.date.available2019-07-11T16:00:06Z-
dc.date.issued2012-10-
dc.identifier.citationProceedings of International Conference on Research in Condensed Matter Physics, held at University of Madras, Chennai, India, October 2012, Ed.by :Dr. Rita John & Dr. Tamio Endo; p 227-229en_US
dc.identifier.isbn9789382062639-
dc.identifier.urihttp://hdl.handle.net/2289/7242-
dc.descriptionRestricted Access.en_US
dc.description.abstractWe have calculated the reorientational time correlation function Cµ(t) of water dipoles in the aqueous. protein (lETN)) solution for various protein concentrations at two different temperatures (300 K and 350 K). using atomistic molecular dynamics simulation studies . The reorientational time correlation function follows an exponentially decaying functions of the form Cµ(t)=Aexp(-1-π), where A represents the percentage of water dipoles reorienting with increasing proteins concentration , the parameter A or the number of freely reorienting dipoles decreases considerably for both temperatures studies and more so at thr higher temperatures . We infer that this decreases the number of freely reorienting water molecules may be related to some of the water molecule bound to the protein back bone.en_US
dc.language.isoenen_US
dc.publisherExcel (India) Publishers, New Delhien_US
dc.rightsExcel (India) Publishersen_US
dc.titleMolecular dynamics study of a protein-water interface – The role of bound wateren_US
dc.typeArticleen_US
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