Transition path time distributions.

نویسندگان

  • M Laleman
  • E Carlon
  • H Orland
چکیده

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, including 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 as well as the average transition path times and discuss the similarities and differences with the high friction limit.

برای دانلود رایگان متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

منابع مشابه

The mean shape of transition and first-passage paths.

Based on the one-dimensional Fokker-Planck equation in an arbitrary free energy landscape including a general inhomogeneous diffusivity profile, we analytically calculate the mean shape of transition paths and first-passage paths, where the shape of a path is defined as the kinetic profile in the plane spanned by the mean time and the position. The transition path ensemble is the collection of ...

متن کامل

How to calculate the main characteristics of random uncorrelated networks

We present an analytic formalism describing structural properties of random uncorrelated networks with arbitrary degree distributions. The formalism allows to calculate the main network characteristics like: the position of the phase transition at which a giant component first forms, the mean component size below the phase transition, the size of the giant component and the average path length ...

متن کامل

Transition path sampling of cavitation between molecular scale solvophobic surfaces

The dynamics of a cavitation transition between repulsive plates in a Lennard-Jones system is studied using transition path sampling. It is found that the critical nucleus for the transition coincides with the formation of a vapor tube connecting the two plates. The number of particles between the plates and the tube radius are relevant order parameters. In the transition state ensemble, the di...

متن کامل

Structure of Production with Urban- rural income Inequalities in the Framework of Structural path Analysis: The Case of Iran

The first experimental SAM for Iran was constructed more than three decades ago under the supervision of Prof. Pyatt. Based on this work Prof Pyatt had observed that the way in which Iran was spending oil revenues was likely to exacerbate urban—rural income differentials in Iran. In his approach to SAM he did not distinguish between factorial and institutional income distributions preferring to...

متن کامل

گذار نیمرسانا به فلز در پلی‌استیلن (trans-PA) (نقش سالیتونهای همبسته)

 In this study the nature of transition to metallic regime in trans-polyacetylene (trans-PA) is investigated. Based on Su-Schrieffer-Heeger (SSH) model and the use of Continued - Fraction Representation (CFR) as well as Lanczos algorithm procedure, we studied the effects of some selected soliton distributions on the semiconductor-to-metal transition in trans-PA.We found that,this transition occ...

متن کامل

ذخیره در منابع من


  با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید

عنوان ژورنال:
  • The Journal of chemical physics

دوره 147 21  شماره 

صفحات  -

تاریخ انتشار 2017