[SCAN] Peptides, pores, and cool ways to simulate them

Title: Peptides, pores, and cool ways to simulate them
Speaker: Manuel Melo 
Affiliation: ITQB NOVA

Abstract:
In recent years, coarse-grain models — and in particular the Martini force field — have become widely used to simulate peptide action on membranes. These methods offer great advantages, but also some less obvious drawbacks. Namely, the Martini force field is often over-resilient to the formation of pores. I will discuss these problems, and present recent methods we developed to circumvent these limitations. By employing protocols for carefully concentrating peptides in membranes, we are now able to consistently form pores. From this point we were able to fully exploit of the potential of coarse-grain models, and have already derived exciting mechanistic insight from pore simulations.