Biological & Soft Matter Seminar: Insights into lipid nanodiscs and sugar glass

Abstarct:

Extraction of thermodynamically instructive parameters from molecular dynamics simulations poses a continuing challenge. I will introduce methodologies that we have developed, which enable the accurate determination of two important parameters: the bending elastic constant of lipid mesophases and the free energy associated with the hydrogen bond in solutions. To illustrate the practical implementation of these methodologies, I will showcase their application in two distinct systems: lipid nanodiscs and the glassy state of aqueous sugar mixtures.