Theory and Simulation of Biomolecular Systems: The Multiscale Challenge
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PhyicsDescription
A multiscale theoretical and computational methodology will be discussed for studying biomolecular systems across multiple length and time scales. The approach provides a systematic connection between all-atom molecular dynamics, coarse-grained modeling, and mesoscopic phenomena. At the heart of the approach is a method for deriving coarse-grained models from protein structures and their underlying molecular-scale interactions. This particular aspect of the work has strong connections to the theory of renormalization