Endocytosis and Signaling: Insilico Modeling at Multiple Scales

We will focus on applications of multiscale modeling to clathrin-dependent endocytosis, i.e., active transport mechanisms characterized by vesicle nucleation and budding of the cell membrane orchestrated by protein-interaction networks. We will discuss theoretical and computational methodologies for quantitatively describing how cell-membrane topologies are actively mediated and manipulated by intracellular protein assemblies. We will describe the development and application of the kinetic Monte Carlo time-dependent Ginzburg Landau (KMC-TDGL) algorithm for unified dynamics of curvature-inducing proteins and membranes. We will also describe a minimal model that captures the design principles behind the self-assembly and adaptive morphogenesis of the clathrin coat. Together, these models provide mechanistic insight into the "hidden" traffic rules in intracellular trafficking mechanisms.