ArticleProceedings of the National Academy of Sciences of the United States of America2020
Broad distributions of transition-path times are fingerprints of multidimensionality of the underlying free energy landscapes.
Article in Proceedings of the National Academy of Sciences of the United States of America, 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 13 papers.
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Who cites it
13 citing papers in PubMed.
- Glassy adhesion dynamics govern transitions between sub-diffusive and super-diffusive cancer cell migration on viscoelastic substrates.Nature communications · 2026Article
- Accelerating Molecular Dynamics through Informed Resetting.Journal of chemical theory and computation · 2025Article
- The significance of fuzzy boundaries of the barrier regions in single-molecule measurements of failed barrier crossing attempts.The Journal of chemical physics · 2024Article
- General theory for localizing the where and when of entropy production meets single-molecule experiments.Proceedings of the National Academy of Sciences of the United States of America · 2024Article
- Article
- Assessing eco-geographic influences on COVID-19 transmission: a global analysis.Scientific reports · 2024Article
- Single-molecule mechanical studies of chaperones and their clients.Biophysics reviews · 2022Review
- The Effect of Time Resolution on Apparent Transition Path Times Observed in Single-Molecule Studies of Biomolecules.The journal of physical chemistry. B · 2022Article
- On distributions of barrier crossing times as observed in single-molecule studies of biomolecules.Biophysical reports · 2021Article
- Exposure of Von Willebrand Factor Cleavage Site in A1A2A3-Fragment under Extreme Hydrodynamic Shear.Polymers · 2021Article
- Estimating transition path times and shapes from single-molecule photon trajectories: A simulation analysis.The Journal of chemical physics · 2021Article
- Localized potential well vs binding site: Mapping solute dynamics in a membrane channel onto one-dimensional description.The Journal of chemical physics · 2021Article
- Broad distributions of transition-path times are fingerprints of multidimensionality of the underlying free energy landscapes.Proceedings of the National Academy of Sciences of the United States of America · 2020Article
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3 authors.
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Abstract
Recent single-molecule experiments have observed transition paths, i.e., brief events where molecules (particularly biomolecules) are caught in the act of surmounting activation barriers. Such measurements offer unprecedented mechanistic insights into the dynamics of biomolecular folding and binding, molecular machines, and biological membrane channels. A key challenge to these studies is to infer the complex details of the multidimensional energy landscape traversed by the transition paths from inherently low-dimensional experimental signals. A common minimalist model attempting to do so is that of one-dimensional diffusion along a reaction coordinate, yet its validity has been called into question. Here, we show that the distribution of the transition path time, which is a common experimental observable, can be used to differentiate between the dynamics described by models of one-dimensional diffusion from the dynamics in which multidimensionality is essential. Specifically, we prove that the coefficient of variation obtained from this distribution cannot possibly exceed 1 for any one-dimensional diffusive model, no matter how rugged its underlying free energy landscape is: In other words, this distribution cannot be broader than the single-exponential one. Thus, a coefficient of variation exceeding 1 is a fingerprint of multidimensional dynamics. Analysis of transition paths in atomistic simulations of proteins shows that this coefficient often exceeds 1, signifying essential multidimensionality of those systems.
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