Building complex membranes with Martini 3

Book chapter

Protocol

Lipid membranes

Proteins

Author

Tugba Nur Ozturk, Melanie König, Timothy S Carpenter, Kasper B Pedersen, Tsjerk A Wassenaar, Helgi I Ingólfsson, and Siewert J Marrink

Doi

https://doi.org/10.1016/bs.mie.2024.03.010

Citation (APA 7)

Ozturk, T. N., König, M., Carpenter, T. S., Pedersen, K. B., Wassenaar, T. A., Ingólfsson, H. I., & Marrink, S. J. (2024). Building complex membranes with Martini 3. Methods in Enzymology.

Abstract

The Martini model is a popular force field for coarse-grained simulations. Membranes have always been at the center of its development, with the latest version, Martini 3, showing great promise in capturing more and more realistic behavior. In this chapter we provide a step-by-step tutorial on how to construct starting configurations, run initial simulations and perform dedicated analysis for membrane-based systems of increasing complexity, including leaflet asymmetry, curvature gradients and embedding of membrane proteins.