Effects of mutations of wild-type alpha-synuclein on its structure and dimerization and consequences for the Parkinson's disease : answers from coars…

2022

Alpha-synuclein is a protein of 140 amino acids, intrinsically disordered and found abundantly in the brain and whose toxic aggregation there is the hallmark of the Parkinson's disease.The aim of the thesis is to understand the effects of certain mutations on the dimerization of alpha-synuclein and to contribute to understand its involvement in Parkinson's disease by using coarse-grained molecular dynamics. Coarse-grained molecular dynamics trajectories were computed using the UNited-RESidue (UNRES) program and provided unprecedented sampling (over an effective time of the order of milliseconds) of the alpha-synuclein structures in monomeric and dimeric forms. These data were generated both…