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A critical appraisal of Markov state models

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Abstract

Markov State Modelling as a concept for a coarse grained description of the essential kinetics of a molecular system in equilibrium has gained a lot of attention recently. The last 10 years have seen an ever increasing publication activity on how to construct Markov State Models (MSMs) for very different molecular systems ranging from peptides to proteins, from RNA to DNA, and via molecular sensors to molecular aggregation. Simultaneously the accompanying theory behind MSM building and approximation quality has been developed well beyond the concepts and ideas used in practical applications. This article reviews the main theoretical results, provides links to crucial new developments, outlines the full power of MSM building today, and discusses the essential limitations still to overcome.

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Authors and Affiliations

  1. Institut für Mathematik, Freie Universität Berlin, Berlin, Germany

    Ch. Schütte

  2. Zuse Institute Berlin, Berlin, Germany

    Ch. Schütte & M. Sarich

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  1. Ch. Schütte
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  2. M. Sarich
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Correspondence to Ch. Schütte.

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Schütte, C., Sarich, M. A critical appraisal of Markov state models. Eur. Phys. J. Spec. Top. 224, 2445–2462 (2015). https://doi.org/10.1140/epjst/e2015-02421-0

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