Coarse-Grained Simulation Model of TDP43 Liquid-liquid Phase Separation Behavior
- Date: Feb 1, 2023
- Speaker: Xiaofei Ping
TDP-43 (TAR DNA-binding protein 43) is a protein that involves in the pathogenesis of several neurodegenerative diseases, including Amyotrophic lateral sclerosis (ALS) and Frontotemporal lobar degeneration (FTLD).The formation of protein aggregates in the brain and spinal cord of patients is underpinned by the phenomenon of liquid-liquid phase separation (LLPS) phenomenon. In this talk I will introduce a molecular dynamics simulation model, Martini3 Go-like model and introduce a method to improve the model to capture the LLPS behavior of TDP-43 as determined by experiments. The molecular dynamics simulations highlight parts of the protein which may be driving phase separation in health and disease.