Please use this identifier to cite or link to this item: http://hdl.handle.net/10603/240183
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dc.date.accessioned2019-04-30T07:07:57Z-
dc.date.available2019-04-30T07:07:57Z-
dc.identifier.urihttp://hdl.handle.net/10603/240183-
dc.description.abstractThis thesis focuses on utilizing electron density as a tool for elucidating bonding characteristics of nanoclusters and quantifying protein-ligand interaction. We have performed ab initio calculations and electronic density based analysis on several nanoclusters, and used the data obtained from ab initio calculations to develop cheminformatics models to predict the properties of larger nanoclusters. Such a combination of ab initio computations and machine learning helps to leverage the power of both and represents the future for the study of large and more challenging systems. newline
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dc.languageEnglish
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dc.rightsuniversity
dc.titleApplication of Electron Density Based Analysis in the Study of Nanoclusters and Biomolecular Interactions
dc.title.alternative
dc.creator.researcherSaha, Pinaki
dc.description.note
dc.contributor.guideN. Sukumar
dc.publisher.placeGreater Noida
dc.publisher.universityShiv Nadar University
dc.publisher.institutionDepartment of Chemistry
dc.date.registered13/08/2013
dc.date.completed2018
dc.date.awarded
dc.format.dimensions
dc.format.accompanyingmaterialCD
dc.source.universityUniversity
dc.type.degreePh.D.
Appears in Departments:Department of Chemistry

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appendix.pdfAttached File626.84 kBAdobe PDFView/Open
certificate.pdf78.38 kBAdobe PDFView/Open
chapter-1.pdf316.03 kBAdobe PDFView/Open
chapter-2.pdf409.8 kBAdobe PDFView/Open
chapter-3.pdf9.52 MBAdobe PDFView/Open
chapter-4.pdf3.11 MBAdobe PDFView/Open
chapter-5.pdf2.07 MBAdobe PDFView/Open
chapter-6.pdf404.58 kBAdobe PDFView/Open
chapter-7.pdf1.71 MBAdobe PDFView/Open
chapter-8.pdf132.82 kBAdobe PDFView/Open
preliminary pages.pdf225.23 kBAdobe PDFView/Open
title page.pdf77.4 kBAdobe PDFView/Open


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