Transition path time distributions

被引:47
作者
Laleman, M. [1 ]
Carlon, E. [1 ]
Orland, H. [2 ,3 ]
机构
[1] Katholieke Univ Leuven, Inst Theoret Phys, Celestijnenlaan 200D, B-3001 Leuven, Belgium
[2] CEA, CNRS, UMR3681, Inst Phys Theor, F-91191 Gif Sur Yvette, France
[3] Beijing Computat Sci Res Ctr, 10 East Xibeiwang Rd, Beijing 100193, Peoples R China
关键词
DYNAMICS;
D O I
10.1063/1.5000423
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
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. Published by AIP Publishing.
引用
收藏
页数:9
相关论文
共 30 条
[1]   Sampling rare switching events in biochemical networks [J].
Allen, RJ ;
Warren, PB ;
ten Wolde, PR .
PHYSICAL REVIEW LETTERS, 2005, 94 (01)
[2]   One-dimensional reaction coordinates for diffusive activated rate processes in many dimensions [J].
Berezhkovskii, A ;
Szabo, A .
JOURNAL OF CHEMICAL PHYSICS, 2005, 122 (01)
[3]   Mean Direct-Transit and Looping Times as Functions of the Potential Shape [J].
Berezhkoyskii, Alexander M. ;
Dagdug, Leonardo ;
Bezrukov, Sergey M. .
JOURNAL OF PHYSICAL CHEMISTRY B, 2017, 121 (21) :5455-5460
[4]   THE KINETIC BOUNDARY-LAYER FOR THE FOKKER-PLANCK EQUATION WITH ABSORBING BOUNDARY [J].
BURSCHKA, MA ;
TITULAER, UM .
JOURNAL OF STATISTICAL PHYSICS, 1981, 25 (03) :569-582
[5]   Stochastic problems in physics and astronomy [J].
Chandrasekhar, S .
REVIEWS OF MODERN PHYSICS, 1943, 15 (01) :0001-0089
[6]   A harmonic transition state approximation for the duration of reactive events in complex molecular rearrangements [J].
Chaudhury, Srabanti ;
Makarov, Dmitrii E. .
JOURNAL OF CHEMICAL PHYSICS, 2010, 133 (03)
[7]   Fast single-molecule FRET spectroscopy: theory and experiment [J].
Chung, Hoi Sung ;
Gopich, Irina V. .
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2014, 16 (35) :18644-18657
[8]   Single-Molecule Fluorescence Experiments Determine Protein Folding Transition Path Times [J].
Chung, Hoi Sung ;
McHale, Kevin ;
Louis, John M. ;
Eaton, William A. .
SCIENCE, 2012, 335 (6071) :981-984
[9]   Experimental determination of upper bound for transition path times in protein folding from single-molecule photon-by-photon trajectories [J].
Chung, Hoi Sung ;
Louis, John M. ;
Eaton, William A. .
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 2009, 106 (29) :11837-11844
[10]   Transition paths are hot [J].
Daldrop, Jan O. ;
Kim, Won Kyu ;
Netz, Roland R. .
EPL, 2016, 113 (01)