Computational Investigations of Membrane Influence on Protein Behavior

Mahapatra, Anshuman Jaysingh (2022) Computational Investigations of Membrane Influence on Protein Behavior. Masters thesis, Indian Institute of Science Education and Research Kolkata.

Text (MS dissertation of Mahapatra Anshuman Jaysingh (17MS054)) 17MS054_Thesis_file.pdf - Submitted Version Restricted to Repository staff only Download (4MB)

Abstract

Membrane-protein simulations have become increasingly popular throughout the last decade, owing to advancements in computing power and algorithmic optimisations related to force fields. Membrane-protein simulations are now being routinely utilised as supporting evidence for experimental discoveries, aiding structural elucidation methods as well as elucidating protein-associated dynamical processes. Unrelated to experimental data, these simulations, by their own virtue, have also proven to be instrumental in investigating larger-scale processes like protein sorting, membrane-protein interactions, and more. In this work, we will be exploring two systems at the absolute endpoints of the spectrum of membrane-protein interactions, bacteriorhodopsin and alpha-synuclein, and try to elucidate the emergent properties that arise from membrane protein interactions.

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