Cited by 80Protein Structure and DynamicsAdvanced Physical and Chemical Molecular InteractionsModel Reduction and Neural Networks

Metastability and Markov State Models in Molecular Dynamics

Schütte, Christof, Sarich, Marco·2013·Courant Lecture Notes

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Registry

Crossref · 10.1090/cln/024

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  • Recent theoretical work has shown it is more useful to consider an MSM as a discrete approximation to the dynamics of the Markov operator in the full state space of positions and velocities.

    “Recent theoretical work has shown it is more useful to instead consider the MSM as a discrete approximation to the dynamics of the Markov operator (transfer operator or dynamical propagator) in the full state space of positions and velocities [8, 7, 5].”
  • Good MSMs accurately approximate long-time molecular kinetics because their eigenvectors closely approximate the corresponding eigenfunctions of the Markov operator associated with large eigenvalues.

    “A key finding is that good MSMs are able to accurately approximate long-time molecular kinetics because their eigenvectors closely approximate the corresponding eigenfunctions of the Markov operator associated with large eigenvalues [8, 7, 5].”

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Cited by 80

Authors
Schütte, C., & Sarich, M.
Affiliations
  • Zuse Institute Berlin (DE)
  • Freie Universität Berlin (DE)
Venue
Courant Lecture Notes
Published
2013-12-26
ISSN
  • 1529-9031 (ISSN-L)
  • 2472-4467
OpenAlex
W4213311833
Cited by
80
References
0
Citations by year
2026: 1 · 2025: 3 · 2024: 4 · 2023: 2 · 2022: 2 · 2021: 10 · 2020: 9 · 2019: 10 · 2018: 6 · 2017: 14 · 2016: 6 · 2015: 8 · 2014: 2 · 2013: 3
FWCI
5.11
Type
book
Language
en
Open access
closed
Locations
Courant lecture notes in mathematics (publishedVersion)
Topics
  • Life Sciences › Biochemistry, Genetics and Molecular Biology › Molecular Biology › Protein Structure and Dynamics
  • Physical Sciences › Chemistry › Physical and Theoretical Chemistry › Advanced Physical and Chemical Molecular Interactions
  • Physical Sciences › Physics and Astronomy › Statistical and Nonlinear Physics › Model Reduction and Neural Networks
Keywords
metastability, Markov state models, molecular dynamics, rare events, transition pathways, conformational dynamics, free energy

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Registry, retraction, Cites and statistics results are computed, not judged, with one exception: a printed reference that no index lists is read once by a model before it counts as a citation error. Claims are extracted by a model and kept only when their quote appears verbatim in the text; each cited source is then checked, with a model’s help, for whether it says what the claim relies on. Those verdicts can be wrong — read the claim’s quote and the cited source before relying on one.

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