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Theoretical study of structural changes in DNA under high external hydrostatic pressure

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dc.contributor.advisor HAZRA, ANIRBAN en_US
dc.contributor.author SUDHEER, KUMAR P en_US
dc.date.accessioned 2014-05-01T07:28:31Z
dc.date.available 2014-05-01T07:28:31Z
dc.date.issued 2014-05 en_US
dc.identifier.uri http://dr.iiserpune.ac.in:8080/xmlui/handle/123456789/311
dc.description This thesis describes the changes seen in the DNA when subjected to external pressure using theoretical methods. The results (for molecular dynamics simulations) shown in this thesis are incomplete. Further work on the subject has been done by the author but it is not reported in this particular thesis. en_US
dc.description.abstract Structural changes of the DNA macro-molecule under high external hydrostatic pressure (2000 bar) have been studied using quantum chemical calculations and molecular dynamics simulations. Such studies give insight into the governing forces in DNA, helps understand the importance of hydration layers, and acts as a basis for understanding the biology of organisms living under high pressure. The structural changes calculated from quantum calculations correspond to small compressions in the hydrogen bond lengths (around 0.016 Å in A-T base pair and 0.012 Å in G-C base pair) and suggest that the DNA molecule is only slightly perturbed due to high external pressure. en_US
dc.language.iso en en_US
dc.subject 2014
dc.subject Theoretical Chemistry en_US
dc.subject Computational Chemistry en_US
dc.subject Quantum Chemical Calculations en_US
dc.subject Molecular Dynamics Simulations en_US
dc.subject DNA en_US
dc.subject Pressure en_US
dc.title Theoretical study of structural changes in DNA under high external hydrostatic pressure en_US
dc.type Thesis en_US
dc.type.degree BS-MS en_US
dc.contributor.department Dept. of Chemistry en_US
dc.contributor.registration 20091033 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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