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We present a numerical study of a two-lane version of the stochastic non-equilibrium model known as the totally asymmetric simple exclusion process. For such a system with open boundaries, and suitably chosen values of externally-imposed…

Statistical Mechanics · Physics 2019-07-31 S. L. A. de Queiroz , R. B. Stinchcombe

A very simple event frequency approximation algorithm that is sensitive to event timeliness is suggested. The algorithm iteratively updates categorical click-distribution, producing (path of) a random walk on a standard $n$-dimensional…

Numerical Analysis · Mathematics 2019-05-29 Alexander Kushkuley

Despite significant progress in the theory of evolutionary algorithms, the theoretical understanding of evolutionary algorithms which use non-trivial populations remains challenging and only few rigorous results exist. Already for the most…

Neural and Evolutionary Computing · Computer Science 2021-09-21 Denis Antipov , Benjamin Doerr

Conformational fluctuations are believed to play an important role in the process by which transcription factor proteins locate and bind their target site on the genome of a bacterium. Using a simple model, we show that the binding time can…

Soft Condensed Matter · Physics 2008-07-22 Longhua Hu , Alexander Y. Grosberg , Robijn Bruinsma

Many real-world applications have the time-linkage property, and the only theoretical analysis is recently given by Zheng, et al. (TEVC 2021) on their proposed time-linkage OneMax problem, OneMax$_{(0,1^n)}$. However, only two elitist…

Neural and Evolutionary Computing · Computer Science 2021-04-15 Weijie Zheng , Qiaozhi Zhang , Huanhuan Chen , Xin Yao

The dynamics of two 12-monomer heteropolymers on the square lattice is studied exactly within the master equation approach. The time evolution of the occupancy of the native state is determined. At low temperatures, the median folding time…

Statistical Mechanics · Physics 2009-09-25 Marek Cieplak , Malte Henkel , Jayanth R. Banavar

Folding of protein-like heteropolymers into unique 3D structures is investigated using Monte Carlo simulations on a cubic lattice. We found that folding time of chains of length $N$ scales as $N^\lambda$ at temperature of fastest folding.…

Condensed Matter · Physics 2009-10-28 A. M. Gutin , V. I. Abkevich , E. I. Shakhnovich

We call `bits' a sequence of devices indexed by positive integers, where every device can be in two states: $0$ (idle) and $1$ (active). Start from the `ground state' of the system when all bits are in $0$-state. In our first Binary…

Probability · Mathematics 2014-08-13 Anton Muratov , Sergei Zuyev

These lectures will address two questions. Is there a simple variational principle underlying the existence of secondary motifs in the native state of proteins? Is there a general approach which can qualitatively capture the salient…

Statistical Mechanics · Physics 2007-05-23 Jay Banavar , Amos Maritan , Cristian Micheletti , Flavio Seno

We study the kinetics of protein folding via statistical energy landscape theory. We concentrate on the local-connectivity case, where the configurational changes can only occur among neighboring states, with the folding progress described…

Soft Condensed Matter · Physics 2009-11-07 Chi-Lun Lee , George Stell , Jin Wang

Background: Many attempts have been made to resolve in time the folding of model proteins in computer simulations. Different computational approaches have emerged. Some of these approaches suffer from the insensitivity to the geometrical…

Statistical Mechanics · Physics 2007-05-23 Nikolay V. Dokholyan , Sergey V. Buldyrev , H. Eugene Stanley , Eugene I. Shakhnovich

In this paper, we study the asymptotic (large time) behavior of a selection-mutation-competition model for a population structured with respect to a phenotypic trait, when the rate of mutation is very small. We assume that the reproduction…

Analysis of PDEs · Mathematics 2015-11-17 Àngel Calsina , Sílvia Cuadrado , Laurent Desvillettes , Gaël Raoul

We consider the hard-core model with Metropolis transition probabilities on finite grid graphs and investigate the asymptotic behavior of the first hitting time between its two maximum-occupancy configurations in the low-temperature regime.…

Probability · Mathematics 2016-02-17 Francesca R. Nardi , Alessandro Zocca , Sem C. Borst

Protein folding, which dictates the protein structure from its amino acid sequence, is half a century old problem of biology. The function of the protein correlates with its structure, emphasizing the need of understanding protein folding…

Quantum Physics · Physics 2025-01-03 Jaya Vasavi P , Soham Bopardikar , Avinash D , Ashwini K , Kalyan Dasgupta , Sanjib Senapati

Extensive Monte Carlo folding simulations for four proteins of various structural classes are carried out, using a single atomistic potential. In all cases, collapse occurs at a very early stage, and proteins fold into their native-like…

Statistical Mechanics · Physics 2009-11-10 Seung-Yeon Kim , Julian Lee , Jooyoung Lee

In this paper we revisit the question how hard it can be for the $(1+1)$ Evolutionary Algorithm to optimize monotone pseudo-Boolean functions. By introducing a more pessimistic stochastic process, the partially-ordered evolutionary…

Neural and Evolutionary Computing · Computer Science 2025-07-02 Marc Kaufmann , Maxime Larcher , Johannes Lengler , Oliver Sieberling

Automated identification of protein conformational states from simulation of an ensemble of structures is a hard problem because it requires teaching a computer to recognize shapes. We adapt the naive Bayes classifier from the machine…

Computational Physics · Physics 2020-12-02 David M. Rogers

Protein folding is one of the age-old biological problems that refers to the mechanism of understanding and predicting how a protein's linear sequence of amino acids folds into its specific three dimensional structure.This structure is…

In real-world applications, many optimization problems have the time-linkage property, that is, the objective function value relies on the current solution as well as the historical solutions. Although the rigorous theoretical analysis on…

Neural and Evolutionary Computing · Computer Science 2021-02-25 Weijie Zheng , Huanhuan Chen , Xin Yao

The enterobacteria lambda phage is a paradigm temperate bacteriophage. Its lysogenic and lytic life cycles echo competition between the DNA binding $\lambda$-repressor (CI) and CRO proteins. Here we scrutinize the structure, stability and…

Biological Physics · Physics 2015-06-11 Andrey Krokhotin , Martin Lundgren , Antti J. Niemi