Challenges in inferring the directionality of active molecular processes from single-molecule fluorescence resonance energy transfer trajectories

A Godec, DE Makarov - The journal of physical chemistry letters, 2022 - ACS Publications
We discuss some of the practical challenges that one faces in using stochastic
thermodynamics to infer directionality of molecular machines from experimental single …

Single-molecule FRET for probing nanoscale biomolecular dynamics

D Nettels, N Galvanetto, MT Ivanović, M Nüesch… - Nature Reviews …, 2024 - nature.com
Single-molecule spectroscopy is a powerful method for studying the physics of molecular
systems, particularly biomolecules, such as proteins and nucleic acids. By avoiding …

Milestoning estimators of dissipation in systems observed at a coarse resolution

K Blom, K Song, E Vouga, A Godec… - Proceedings of the …, 2024 - National Acad Sciences
Many nonequilibrium, active processes are observed at a coarse-grained level, where
different microscopic configurations are projected onto the same observable state. Such …

A multiscale cohesive zone model for rate-dependent fracture of interfaces

T Yang, KM Liechti, R Huang - Journal of the Mechanics and Physics of …, 2020 - Elsevier
Rate-dependent fracture has been observed for a silicon/epoxy interface as well as other
polymer interfaces, where both the interfacial strength and toughness increase with the …

Perspective: Mechanochemistry of biological and synthetic molecules

DE Makarov - The Journal of chemical physics, 2016 - pubs.aip.org
Coupling of mechanical forces and chemical transformations is central to the biophysics of
molecular machines, polymer chemistry, fracture mechanics, tribology, and other disciplines …

Broad distributions of transition-path times are fingerprints of multidimensionality of the underlying free energy landscapes

R Satija, AM Berezhkovskii… - Proceedings of the …, 2020 - National Acad Sciences
Recent single-molecule experiments have observed transition paths, ie, brief events where
molecules (particularly biomolecules) are caught in the act of surmounting activation …

Perspective: Computer simulations of long time dynamics

R Elber - The Journal of chemical physics, 2016 - pubs.aip.org
Atomically detailed computer simulations of complex molecular events attracted the
imagination of many researchers in the field as providing comprehensive information on …

Rate enhancement of gated drift-diffusion process by optimal resetting

A Biswas, A Pal, D Mondal, S Ray - The Journal of Chemical Physics, 2023 - pubs.aip.org
ABSTRACT “Gating” is a widely observed phenomenon in biochemistry that describes the
transition between the activated (or open) and deactivated (or closed) states of an ion …

Generalized Langevin equation as a model for barrier crossing dynamics in biomolecular folding

R Satija, DE Makarov - The Journal of Physical Chemistry B, 2019 - ACS Publications
Conformational memory in single-molecule dynamics has attracted recent attention and, in
particular, has been invoked as a possible explanation of some of the intriguing properties of …

[HTML][HTML] Transition path times reveal memory effects and anomalous diffusion in the dynamics of protein folding

R Satija, A Das, DE Makarov - The Journal of chemical physics, 2017 - pubs.aip.org
Recent single-molecule experiments probed transition paths of biomolecular folding and, in
particular, measured the time biomolecules spend while crossing their free energy barriers …