We present a top-down hierarchical computational framework for mechanobiology problems, the molecular dynamics decorated finite element method (MDeFEM). The MscL in Escherichia coli was given as an example with its continuum model built under the instruction of MDeFEM framework.  Its gating pathways under various external perturbations were investigated, which are in good agreement with current experimental data and all-atom simulation results. The MDeFEM method showed its advantages and great potential in solving the mechanical responses of large biomolecules with complex geometries, which often involves multiple temporal and spatial scales.

Two papers published as cover papers of Biophysical Journals (July 15,2008) are:

『1』 Xi Chen, Qiang Cui, Yuye Tang, Jejoong Yoo, and Arun Yethiraj Gating Mechanisms of Mechanosensitive Channels of Large Conductance, I: A Continuum Mechanics-Based Hierarchical Framework Biophys. J. 2008 95: 563-580; Published ahead of print on April 4, 2008 as doi:10.1529/biophysj.107.128488.

『2』Yuye Tang, Jejoong Yoo, Arun Yethiraj, Qiang Cui, and Xi Chen Gating Mechanisms of Mechanosensitive Channels of Large Conductance, II: Systematic Study of Conformational Transitions Biophys. J. 2008 95: 581-596; Published ahead of print on April 4, 2008 as doi:10.1529/biophysj.107.128496.