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Protein folding is a universal process, very fast and accurate, which works consistently (as it should be) in a wide range of physiological conditions. The present work is based on three premises, namely: ($i$) folding reaction is a process…

生物物理 · 物理学 2015-05-20 J. P. Dal Molin , M. A. A. da Silva , A. Caliri

A fluctuation theorem is examined for the first-passage time of a biomolecular machine (e.g., a motor protein or an enzyme) in a nonequilibrium steady-state. For such machines in which the driven, observable process is coupled to a hidden…

生物物理 · 物理学 2025-09-15 D. Evan Piephoff , Jianshu Cao

Protein dynamics is a fundamental element to comprehend their biological functions. However, a theoretical picture providing microscopic-detail explanation of its relevant features is still missing. One of the outmost relevant properties…

软凝聚态物质 · 物理学 2023-06-14 Luca Maggi

For transport processes in geometrically restricted domains, the mean first-passage time (MFPT) admits a general scaling dependence on space parameters for diffusion, anomalous diffusion, and diffusion in disordered or fractal media. For…

We study the first passage time (FPT) problem in Levy type of anomalous diffusion. Using the recently formulated fractional Fokker-Planck equation, we obtain an analytic expression for the FPT distribution which, in the large passage time…

统计力学 · 物理学 2009-11-07 Govindan Rangarajan , Mingzhou Ding

In biochemical reaction networks, the first passage time (FPT) of a reaction quantifies the time it takes for the reaction to first occur, from the initial state. While the mean FPT historically served as a summary metric, a far more…

分子网络 · 定量生物学 2025-03-07 Changqian Rao , David Waxman , Wei Lin , Zhuoyi Song

We investigate the sequence-dependent properties of proteins that determine the dual requirements of stability of the native state and its kinetic accessibility using simple cubic lattice models. Three interaction schemes are used to…

软凝聚态物质 · 物理学 2009-10-31 D. K. Klimov , D. Thirumalai

The first-passage time is proposed as an independent thermodynamic parameter of the statistical distribution that generalizes the Gibbs distribution. The theory does not include the determination of the first passage statistics itself. A…

统计力学 · 物理学 2022-08-22 V. V. Ryazanov

The folding of a peptide chain into a three dimensional structure is a thermodynamically driven process such that the chain naturally evolves to form domains of similar amino acids. The formation of this domain occurs by curling the one…

统计力学 · 物理学 2018-02-01 Theja N. De Silva , Vattika Sivised

The folding dynamics of small single-domain proteins is a current focus of simulations and experiments. Many of these proteins are 'two-state folders', i.e. proteins that fold rather directly from the denatured state to the native state,…

生物大分子 · 定量生物学 2020-01-08 Thomas R. Weikl

We investigate the translocation of a single stranded DNA through a pore which fluctuates between two conformations, using coupled master equations. The probability density function of the first passage times (FPT) of the translocation…

统计力学 · 物理学 2007-05-23 O. Flomenbom , J. Klafter

In the current AFM experiments the distribution of unfolding times, P(t), is measured by applying a constant stretching force f_s from which the apparent unfolding rate is obtained. To describe the complexity of the underlying energy…

软凝聚态物质 · 物理学 2009-11-11 V. Barsegov , D. Klimov , D. Thirumalai

A microscopic theory of the free energy barriers and folding routes for minimally frustrated proteins is presented, greatly expanding on the presentation of the variational approach outlined previously [J. J. Portman, S. Takada, P. G.…

软凝聚态物质 · 物理学 2009-10-31 John J. Portman , Shoji Takada , Peter G. Wolynes

First passage time plays a fundamental role in dynamical characterization of stochastic processes. Crucially, our current understanding on the problem is almost entirely relies on the theoretical formulations, which assume the processes…

统计力学 · 物理学 2023-02-01 Yuta Sakamoto , Takahiro Sakaue

Fluctuations in stochastic systems are usually characterized by the full counting statistics, which analyzes the distribution of the number of events taking place in the fixed time interval. In an alternative approach, the distribution of…

统计力学 · 物理学 2018-01-24 Krzysztof Ptaszynski

We investigate the interplay between post-translational folding and escape of two small single-domain proteins at the ribosomal exit tunnel by using Langevin dynamics with coarse-grained models. It is shown that at temperatures lower or…

生物大分子 · 定量生物学 2016-02-19 Bui Phuong Thuy , Trinh Xuan Hoang

The folding pathway and rate coefficients of the folding of a knotted protein are calculated for a potential energy function with minimal energetic frustration. A kinetic transition network is constructed using the discrete path sampling…

生物大分子 · 定量生物学 2010-07-05 Michael C. Prentiss , David J. Wales , Peter G. Wolynes

We study the first-passage-time (FPT) properties of an active Brownian particle under stochastic resetting to its initial configuration, comprising its position and orientation, to reach an absorbing wall in two dimensions. Coupling a…

软凝聚态物质 · 物理学 2025-04-04 Yanis Baouche , Christina Kurzthaler

We present a one-dimensional model for diffusion in a fluctuating lattice; that is a lattice which can be in two or more states. Transitions between the lattice states are induced by a combination of two processes: one periodic…

统计力学 · 物理学 2007-05-23 Jorge A. Revelli , Carlos. E. Budde , Horacio S. Wio

The motion involved in barrier crossing for protein folding are investigated in terms of the chain dynamics of the polymer backbone, completing the microscopic description of protein folding presented in the previous paper. Local reaction…

软凝聚态物质 · 物理学 2009-10-31 John J. Portman , Shoji Takada , Peter G. Wolynes