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A central goal of protein-folding theory is to predict the stochastic dynamics of transition paths --- the rare trajectories that transit between the folded and unfolded ensembles --- using only thermodynamic information, such as a…

Biomolecules · Quantitative Biology 2018-08-09 William M. Jacobs , Eugene I. Shakhnovich

Effective locomotion in nature happens by transitioning across multiple modes (e.g., walk, run, climb). Despite this, far more mechanistic understanding of terrestrial locomotion has been on how to generate and stabilize around…

Biological Physics · Physics 2025-09-22 Ratan Othayoth , George Thoms , Chen Li

We construct the exact partition function of the Potts model on a complete graph subject to external fields with linear and nematic type couplings. The partition function is obtained as a solution to a linear diffusion equation and the free…

Mathematical Physics · Physics 2019-08-14 Paolo Lorenzoni , Antonio Moro

Protein folding processes are generally described statistically with the help of multidimensional free energy landscape, typically reduced to a 1-D free energy profile along good reaction co-ordinate. There are many physical parameters…

Biological Physics · Physics 2017-05-04 Debajyoti De , Anurag Singh , Amar Nath Gupta

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…

Biomolecules · Quantitative Biology 2010-07-05 Michael C. Prentiss , David J. Wales , Peter G. Wolynes

The understanding, and even the description of protein folding is impeded by the complexity of the process. Much of this complexity can be described and understood by taking a statistical approach to the energetics of protein conformation,…

chem-ph · Physics 2008-02-03 J. D. Bryngelson , J. N. Onuchic , N. D. Socci , P. G. Wolynes

We propose a general theory to describe the distribution of protein-folding transition paths. We show that transition paths follow a predictable sequence of high-free-energy transient states that are separated by free-energy barriers. Each…

Biomolecules · Quantitative Biology 2016-09-21 William M. Jacobs , Eugene I. Shakhnovich

The time evolution of many physical, chemical, and biological systems can be modelled by stochastic transitions between the minima of the potential energy surface describing the system of interest. We show that in cases where there are two…

Statistical Mechanics · Physics 2024-09-11 S. P. Fitzgerald , A. Bailey Hass , G. Díaz Leines , A. J. Archer

In order to better understand the occurrence of phase transitions, we adopt an approach based on the study of energy landscapes: The relation between stationary points of the potential energy landscape of a classical many-particle system…

Statistical Mechanics · Physics 2009-03-24 Michael Kastner

We examine the order of the phase transition in the Potts model by using the graph representation for the partition function, which allows treating a non-integer number of Potts states. The order of transition is determined by the analysis…

Statistical Mechanics · Physics 2009-10-31 Zvonko Glumac , Katarina Uzelac

We study an ideal-gas-like model where the particles exchange energy stochastically, through energy conserving scattering processes, which take place if and only if at least one of the two particles has energy below a certain energy…

Statistical Mechanics · Physics 2015-05-27 Asim Ghosh , Urna Basu , Anirban Chakraborti , Bikas K. Chakrabarti

Simulating transition dynamics between metastable states is a fundamental challenge in dynamical systems and stochastic processes with wide real-world applications in understanding protein folding, chemical reactions and neural activities.…

Machine Learning · Computer Science 2024-10-22 Haibo Wang , Yuxuan Qiu , Yanze Wang , Rob Brekelmans , Yuanqi Du

Transition out of a topological phase is typically characterized by discontinuous changes in topological invariants along with bulk gap closings. However, as a clean system is geometrically punctured, it is natural to ask the fate of an…

Disordered Systems and Neural Networks · Physics 2023-12-15 Saikat Mondal , Subrata Pachhal , Adhip Agarwala

Two examples of Microcanonical Potts models, 2-dimensional nearest neighbor and mean field, are considered via exact enumeration of states and analytical asymptotic methods. In the interval of energies corresponding to a first order phase…

Statistical Mechanics · Physics 2009-11-07 I. Ispolatov , E. G. D. Cohen

The minimum energy path (MEP) is the most probable transition path that connects two equilibrium states of a potential energy landscape. It has been widely used to study transition mechanisms as well as transition rates in the fields of…

Numerical Analysis · Mathematics 2022-07-01 Xuanyu Liu , Huajie Chen , Christoph Ortner

Entanglement phase transitions in quantum chaotic systems subject to projective measurements and in random tensor networks have emerged as a new class of critical points separating phases with different entanglement scaling. We propose a…

Statistical Mechanics · Physics 2020-08-12 Javier Lopez-Piqueres , Brayden Ware , Romain Vasseur

Random walks on multidimensional nonlinear landscapes are of interest in many areas of science and engineering. In particular, properties of adaptive trajectories on fitness landscapes determine population fates and thus play a central role…

Populations and Evolution · Quantitative Biology 2014-10-08 Michael Manhart , Alexandre V. Morozov

To traverse complex three-dimensional terrainwith large obstacles, animals and robots must transition across different modes. However, the most mechanistic understanding of terrestrial locomotion concerns how to generate and stabilize…

Biological Physics · Physics 2025-09-23 Ratan Othayoth , Qihan Xuan , Yaqing Wang , Chen Li

The topological theory of phase transitions was proposed on the basis of different arguments, the most important of which are: a direct evidence of the relation between topology and phase transitions for some exactly solvable models; an…

Statistical Mechanics · Physics 2018-02-28 Matteo Gori , Roberto Franzosi , Marco Pettini

We consider the number and distribution of minima in random landscapes defined on non-Euclidean lattices. Using an ensemble where random landscapes are reweighted by a fugacity factor $z$ for each minimum they contain, we construct first a…

Disordered Systems and Neural Networks · Physics 2013-09-03 Peter Sollich , Satya N Majumdar , Alan J Bray
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