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Computational Modeling Of 3d Structure Of Keratin Intermediate Filament By Satisfaction Of Spatial Restraints

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dc.contributor.advisor MADHUSUDHAN, M.S. en_US
dc.contributor.author SONI, NEELESH en_US
dc.date.accessioned 2012-05-04T08:41:27Z
dc.date.available 2012-05-04T08:41:27Z
dc.date.issued 2012-05 en_US
dc.identifier.uri http://dr.iiserpune.ac.in:8080/xmlui/handle/123456789/177
dc.description This work is a part of 5 year BS-MS Dual Degree thesis. Work is done under Guidance of Dr.M.S.Madhusudhan BII-A-STAR Singapore in Singapore for 6 Months and rest in IISER Pune. en_US
dc.description.abstract Keratin intermediate filaments are the key structural component of epithelia and form cytoskeletal network. Till date, the molecular mechanism governing the keratin assembly are unknown. To get insight into keratin (and in general intermediate filament (IF)) assembly and function, we need to know their three-dimensional structures at atomic resolution. To do this, Hybrid Modeling method was used. In Hybrid Modeling, experimental data is used as spatial restraints. Making use of molecular modeling and converting the chemical cross linking data into spatial restraints a near atomic resolution model of the Keratin (K5/K14) intermediate filament has been created. For the first time, filament structures are solved with almost all residues (missing head/tail). The resulting structures reveals the configuration of lower order structures inside the filament. These models can help explain the mechanism of keratin related diseases. They can also be exploited to design experiments to manipulate cytoskeletal structure. Models at atomic level of detail are attractive starting point for the rational drug design. The present approach should be applicable to all proteins of IF family. en_US
dc.language.iso en en_US
dc.subject 2012
dc.subject Computational Modeling protein Intermediate filament keratin spatial restraints optimization en_US
dc.title Computational Modeling Of 3d Structure Of Keratin Intermediate Filament By Satisfaction Of Spatial Restraints en_US
dc.type Thesis en_US
dc.type.degree BS-MS en_US
dc.contributor.department Dept. of Biology en_US
dc.contributor.registration 20071035 en_US


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  • MS THESES [1705]
    Thesis submitted to IISER Pune in partial fulfilment of the requirements for the BS-MS Dual Degree Programme/MSc. Programme/MS-Exit Programme

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