Computational Modelling of Protein-Lipid Interactions
Molecular dynamics simulations have been applied widely to understand structure-function-interaction relationships between molecules. It is possibly feasible now to establish multicomponent simulations among most of dynamics and interactions within cell at relative biological timescale. Amylin (IAPP) is found associated with T2DM, also neurodegenerative disorders. However, the details are still not clear. Molecular simulations can perform a better way to approach the molecular and structural details of amylin-cholesterol-membrane interactions, help figure out the reason of forming amyloid fibres, understand its regulation charteristics in metabolism.