Please use this identifier to cite or link to this item: http://hdl.handle.net/123456789/500
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dc.contributor.authorAgrawal, Ankit Kumar-
dc.contributor.otherRakshit, S.-
dc.date.accessioned2015-07-14T11:40:19Z-
dc.date.available2015-07-14T11:40:19Z-
dc.date.issued2015-07-10-
dc.identifier.urihttp://hdl.handle.net/123456789/500-
dc.descriptionMS10057en_US
dc.description.abstractHearing is one of our uniquely robust and subtle sensory mechanism that is tightly controlled under the mechanical forces generated by sound-waves. Ca+2 ions play significant role in hearing. It provides the structural rigidity to the molecular constructs, cadherin proteins at tip-links, directly involved in hearing. Objective of this work is to understand the role of Ca+2 ions that serve as structural determinant for cadherins in silico. We performed molecular dynamics simulations using GROMACS (GROningen MAchine for Chemical Simulations), VMD, UCSF Chimera (an Ex- tensible Molecular Modelling System ) to understand the dynamics of cadherins with Ca+2 ions. The system was well energy-minimized and equilibrated in NVT ensemble and NPT ensemble. We estimated the structural rigidity of proteins, using RMSD, structure overlay and tensor calculations and identified different conformations of cadherins at different Ca+2 ions concentrations. As prelude, the concepts of statistical mechanics and classical mechanics that is used in MD simulations, are also discussed.en_US
dc.description.sponsorshipIISER Men_US
dc.language.isoenen_US
dc.publisherIISER Men_US
dc.subjectChemistryen_US
dc.subjectProteinsen_US
dc.subjectCalciumen_US
dc.subjectMolecular Dynamics Simulationsen_US
dc.titleRole of calcium ions as structural determinant for non-classical cadherin-23 and protocadherin-15 proteinsen_US
dc.typeThesisen_US
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