July 18, 2024 5:00 PM / Scientists
Simulating the bacterial cell wall: how complex is the peptidoglycan conformational space, and can we recover it with coarse-grain representations?
"CMMS Talks" event with a talk by Dr. Manuel N. Melo (University of Lisbon)
Venue: FIAS Lecture Hall 0.100 / Online
Our next "CMMS Talks" event with a talk by Dr. Manuel N. Melo will take place on Thursday, 18 July 2024 at 5 p.m. in the FIAS Lecture Hall.
Abstract:
In this lecture I will show my lab's ongoing computational work in the parameterization and application of coarse-grain models to simulate peptidoglycan. While diving into details of structural biology of glycans and advanced techniques in coarse-grain parameterization, I will describe how this journey started several years ago, the unexpected findings we have observed -- with important consequence to our understanding of peptidoglycan's biological function -- and how we have tackled the challenges of representing this macromolecule within the Martini coarse-grain framework, so that we can eventually simulate bacterium-sized cell walls.
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Zoom2 FIAS:
Thema: CMMS Talks Summer Semester 2024 Meeting-ID: 894 0449 7415 Kenncode: 379805