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. Author manuscript; available in PMC: 2019 Oct 1.
Published in final edited form as: Curr Opin Struct Biol. 2018 Sep 25;52:87–94. doi: 10.1016/j.sbi.2018.09.005

Figure 4.

Figure 4.

Pseudocode implementing adaptive Markov State Models using Adaptive Ensemble API. For demonstration purposes, we have shown an implementation using gmxapi [56]; the approach should easily generalize to other Python frontends for molecular simulation programs.