Wei and Tong awarded NSF DMS grantGuowei Wei, Professor of Mathematics, and Yiying Tong, Associate Professor of Computer Science and Engineering at Michigan State University have been awarded a three-year NSF DMS grant titled "Geometric and Topological Modeling and Computation of Biomolecular Structure, Function, and Dynamics".
The project aims at designing a number of geometric and topological approaches, which address the challenges in computations involving large degrees of freedom in biomolecular systems. First, a multiscale framework is proposed to reduce the dimensionality and number of degrees of freedom. Additionally, adaptive coarse-grained approach based on persistently stable manifolds is introduced to further reduce the dimensionality of excessively large biomolecular systems. Machine learning algorithms are proposed to extract stable manifolds. Finally, perturbation strategy is introduced to explore the persistence of stable manifolds. In addition to promising and extensive preliminary results illustrating the power of this approach, extensive validation and application have been proposed to ensure that the proposed methodology yields robust and powerful tools for biomolecular structure optimization, function prediction and dynamical simulation.
(Date Posted: 2017-07-26)