Coarse-Grained Models for Vault Normal Model Analysis.

Recent experiments have shown that the molecular complex of vault has large conformational changes at its shoulder and cap regions in solution. From the comparison of two configuration structures, it has been found that the shoulder region can twist and move outward, while the cap region will rotate and push upward correspondingly. To further understand these experimental results, in this paper, we study the vault dynamics for the first time.

Hodge theory-based biomolecular data analysis.

Hodge theory reveals the deep intrinsic relations of differential forms and provides a bridge between differential geometry, algebraic topology, and functional analysis. Here we use Hodge Laplacian and Hodge decomposition models to analyze biomolecular structures. Different from traditional graph-based methods, biomolecular structures are represented as simplicial complexes, which can be viewed as a generalization of graph models to their higher-dimensional counterparts.