“Introduction to Molecular Dynamics Simulations in Membrane Studies” online workshop by MD.USE

In collaboration with ComeInCell, MD.USE is hosting a workshop centered on the application of molecular dynamics simulations to complex biological systems.

The workshop, taking place on April 20, 14:00 – 18:00h CET (Berlin time), begins with a one-hour lecture open to the public, followed by a specialized hands-on activity reserved exclusively for the ComeInCell fellows.

The public lecture introduces molecular dynamics fundamentals and the types of simulation. It also covers antimicrobial peptide (AMP) biophysics, including behavior in solution, antimicrobial activity, and membrane interactions, while exploring various simulation types and the GROMACS package. Attendees will learn how multiscale strategies characterize the molecular determinants of selectivity and membrane disruption.

In the hands-on session, ComeInCell members will use GROMACS to model peptide binding, insertion, and self-assembly across extended time scales. This practical application demonstrates how lipid composition and physicochemical properties drive the mode of action in realistic membrane environments.

Meeting link details:

• Lecture format: 1h-lecture (including 15 min Q&A) open to the public, followed by a 3h-hands on workshop for ComeInCell fellows only.
• Zoom link: https://eu02web.zoom-x.de/j/66431861955?pwd=vepf1oAmmaaIklmqLXkPZ3aghYauyb.1
• Meeting ID / Passcode: 664 3186 1955 / 335061

We hope to see you there!