# Estimation of the infinitesimal generator by square-root approximation

@article{Donati2017EstimationOT, title={Estimation of the infinitesimal generator by square-root approximation}, author={Luca Donati and Martin Heida and Bettina G. Keller and Marcus Weber}, journal={Journal of Physics: Condensed Matter}, year={2017}, volume={30} }

In recent years, for the analysis of molecular processes, the estimation of time-scales and transition rates has become fundamental. Estimating the transition rates between molecular conformations is—from a mathematical point of view—an invariant subspace projection problem. We present a method to project the infinitesimal generator acting on function space to a low-dimensional rate matrix. This projection can be performed in two steps. First, we discretize the conformational space in a Voronoi…

## 14 Citations

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