Show simple item record

dc.contributor.advisorReddy, Govardhan
dc.contributor.authorMondal, Balaka
dc.date.accessioned2020-08-03T09:27:31Z
dc.date.available2020-08-03T09:27:31Z
dc.date.submitted2019
dc.identifier.urihttp://etd.iisc.ac.in/handle/2005/4515
dc.description.abstractThe broad objective of this thesis involves computationally modeling protein aggregation with special emphasis on the role of cosolvents and misfolded states. Chapter 1 contrasts the effect of biologically relevant co-solvents on the aggregation of intrinsically disordered amyloid β peptide and globular protein c Src SH3 domain. Chapter 2 details the role of misfolded states in the aggregation of single domain prion proteins. A plaussible mechanism is also proposed to explain initial stages of aggregation of prion proteins which is associated with a spectrum of neurodegenerative disorders. Chapter 3 elucidates double domain swapping event observed in eye lens γC and γD Crystallin proteins which undergo aggregation causing cataract. Both N-terminal domain and C-terminal domain of the proteins are found to take part in domain swapping leading to double domain swapping. Aggregation prone misfolded states are also identified from the unfolded state ensemble of both the proteins. Additionally, different pathway to unfolding and refolding is also studied to explain the observed hysteresis in these proteins. Chapter 4 compares the available analytical models to interpret single molecule pulling data in the context of force induced unfolding of Ubiquitin protein. Available experimental data and simulation data are compared to understand the shortcomings of the analytical models.en_US
dc.language.isoen_USen_US
dc.rightsI grant Indian Institute of Science the right to archive and to make available my thesis or dissertation in whole or in part in all forms of media, now hereafter known. I retain all proprietary rights, such as patent rights. I also retain the right to use in future works (such as articles or books) all or part of this thesis or dissertationen_US
dc.subjectMolecular Dynamics, Protein Misfolding and Aggregation, Coarse grained modeling, Enhanced Samplingen_US
dc.subjectMolecular Dynamicsen_US
dc.subjectProtein Misfoldingen_US
dc.subjectProtein Aggregationen_US
dc.subjectCoarse grained modelingen_US
dc.subjectEnhanced Samplingen_US
dc.subject.classificationResearch Subject Categories::NATURAL SCIENCES::Chemistry::Other chemistryen_US
dc.titleInvestigating the Role of Domain Swapping in Aggregation of Globular Proteinsen_US
dc.typeThesisen_US
dc.degree.namePhDen_US
dc.degree.levelDoctoralen_US
dc.degree.grantorIndian Institute of Scienceen_US
dc.degree.disciplineFaculty of Scienceen_US


Files in this item

This item appears in the following Collection(s)

Show simple item record