Multiscale simulation of Ras-Raf interaction

Cells use a limited number of mutually interacting protein-protein interaction networks, called cell-signalling network to communicate with each other. The protein components of these signalling networks have been identified and their individual functions understood. However, how they interact with each other to produce a functional cell-signalling network is relatively poorly understood. An important cell signalling network involved in the growth and proliferation of cells is the MAPK pathway, which is activated through the formation of phosphorylated Ras-Raf protein complex. The formation of this complex at biologically relevant concentrations span multiple timescales, rendering traditional theoretical and experimental tools inadequate to study this problem in its entirety. Using recently developed accelerated simulation techniques, we have been able to overcome this barrier and have studied Ras-Raf interaction in biologically relevant concentrations and timescales. In this talk, I shall present new aspects of Ras-Raf kinetics revealed through these simulations and discuss their potential biological implications.