Transition path time distributions

M. Laleman; E. Carlon; H. Orland

doi:10.1063/1.5000423

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arXiv · 1708.04487

Transition path time distributions

M. Laleman·E. Carlon·H. Orland

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Abstract

Biomolecular folding, at least in simple systems, can be described as a two state transition in a free energy landscape with two deep wells separated by a high barrier. Transition paths are the short part of the trajectories that cross the barrier. Average transition path times and, recently, their full probability distribution have been measured for several biomolecular systems, e.g. in the folding of nucleic acids or proteins. Motivated by these experiments, we have calculated the full transition path time distribution for a single stochastic particle crossing a parabolic barrier, focusing on the underdamped regime. Our analysis thus includes inertial terms, which were neglected in previous studies. These terms influence the short time scale dynamics of a stochastic system, and can be of experimental relevance in view of the short duration of transition paths. We derive the full transition path time distribution in the underdamped case and discuss the similarities and differences with the high friction (overdamped) limit.

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M. Laleman, E. Carlon, H. Orland. 2017-08-15. Transition path time distributions. https://doi.org/10.1063/1.5000423

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