Abstract

Biological cell membranes are dynamic structures capable of carrying out diverse functions, functions which are controlled by the dynamic organization and interactions of the membrane's main building blocks, i.e., lipids and proteins. Indeed, over the last decades, a large body of research has been focused on understanding the interactions between lipids and proteins, and how they control critical cellular functions such as signal transduction, cell trafficking, and host-pathogen interactions. There is increasing evidence that the dynamic nature of lipids and proteins, and their organization into functional domains within cell membranes is directly responsible for a wide range of vital biological processes. Much of this evidence is made possible by computer simulations that can tease out the atomic details of the different biomolecules making up cell membranes, and provide insights into the nano- and mesoscale structural and dynamical features that impart function. Results of such simulations have opened new avenues for understanding pathogenic pathways and designing advanced therapeutics.