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

SUDHEER, KUMAR P

DR Home
→
THESES & PROJECT REPORTS
→
MS THESES
→
View Item

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