Markov state models (MSMs) have become one of the preferred methods for analysis and interpretation molecular dynamics (MD) simulations conformational transitions in biopolymers. While there is great variation terms implementation, a well-defined workflow involving multiple steps often adopted. Typically, coordinates are first subjected to dimensionality reduction then clustered into small “mic...

The varying coefficient (VC) model is a generalization of ordinary linear model, which can not only retain strong interpretability but also has the flexibility nonparametric model. In this paper, we investigate VC with hierarchical structure. A unified variable selection method for proposed, simultaneously select nonzero effects and estimate unknown functions. Meanwhile, selected enforces struc...