Abstract

Markov state models and folding pathways for macromolecules

Frank Noe
Freie Universität Berlin

Markov models capturing the metastable dynamics of macromolecules can be built from various types of trajectory data, including data where the individual trajectory length is much shorter than the slowest processes in the system. Here we present methods for the construction and validation of such Markov models and for the computation of observables of interest from them. In particular, we will focus on the ensemble of transition pathways for folding.