Browsing by Advisor "Ayappa, K Ganapathy"
Now showing items 1-14 of 14
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Analysis Of Microwave Thawing
(2012-04-30) -
Computational study of membrane driven secondary structural changes in proteins
Conformational changes in proteins, the most abundant biomolecule found in all living organisms, are ubiquitous and triggered by several factors essential for protein function. Protein conformational changes typically occur ... -
Dendrimer Interactions with Cell Membrane and Pore Forming Toxins
Dendrimers are hyper-branched polymeric nanoparticles with a central core molecule connected by successive dendritic branching layers. The structure controlled parameters of den-drimers such as size, shape, surface chemistry, ... -
Evaluating Nanoporous Graphene for Enhanced Evaporation-Based Separations using Molecular Dynamics Simulations
Amidst the plethora of separation processes used in chemical industries, water purification and bioethanol production are important, given their critical role in mitigating water scarcity and developing sustainable energy ... -
Exploring water dynamics and gas separations in graphene oxide surfaces and nanopores
Graphene oxide (GO) is a chemically functionalized graphene with various oxygen-containing functional groups, such as epoxy (-O-), hydroxyl (-OH), and carboxyl (-COOH) on the basal plane. As a consequence, GOs have hydrophilic ... -
Inkjet-Printed Ag Nanomaterials based Strain Sensors for Wearable Sensing Applications
Of late, the demand of wearable sensors has exponentially risen. For example, strain sensors that can be worn and are skin mountable play a significant role in the areas of human motion detection, healthcare, soft robotics, ... -
Investigation of cell membrane dynamics: A potential marker for lipid response towards membrane-active proteins and peptides
The cell membrane is made up of lipids and proteins held together with intermolecular hydrophobic/hydrophilic interactions. These physical non-covalent interactions help in maintaining the integrity of the cell membrane, ... -
Investigation of multiscale biological phenomenon using kinetic modeling and molecular dynamics simulations
Biological systems inherently function at multiple spatial and temporal scales by integrating information across these scales. In this thesis, we are interested in investigating two classes of biological phenomena that ... -
Modeling Lysis Dynamcis Of Pore Forming Toxins And Determination Of Mechanical Properties Of Soft Materials
(2015-08-07)Pore forming toxins are known for their ability to efficiently form transmembrane pores which eventually leads to cell lysis. PFTs have potential applications in devel-oping novel drug and gene delivery strategies. Although ... -
Molecular Analysis of the Pore Forming Mechanism of an α-Helical Cytolysin
Pore forming toxins (PFTs) are lytic membrane binding proteins that are ubiquitous across the animal kingdom and disrupt the structural integrity of the host cell membrane. A unique characteristic of these toxins is that ... -
Molecular determinants of self-assembly of the pore forming toxin Cytolysin A
Pore forming toxins (PFTs) belong to a class of bacterial exotoxins that disrupt the biological membrane barrier by formation of nanopores. These toxins are central to the virulence of pathogens such as S. pneumoniae, ... -
Molecular dynamics investigations of the bacterial cell envelope: Elucidating differential barriers for antimicrobials
The bacterial cell envelopes possess a complex multilayered architecture exhibiting unique properties evolved to regulate interactions with the external environment and molecules with antimicrobial properties. A molecular ... -
Molecular Dynamics simulations reveal the role of membrane cholesterol in the pore forming pathway of Cytolysin A
We investigate the interactions of pore-forming toxins (PFTs) with cholesterol-rich membranes through atomistic molecular dynamics simulations. The PFT of interest is Cytolysin A (ClyA or HlyE). Cytolysin A (ClyA), an ... -
Structure and Dynamics of Fluids Under Nanoscale Confinement
Fluid molecules confined between solid surfaces separated by a few nanometers are of considerable interest in nanoscience and nanotechnology as they undergo structural and dynamical transitions absent in their corresponding ...