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The beautiful structures of single and multi-domain proteins are clearly ordered in some fashion but cannot be readily classified using group theory methods that are successfully used to describe periodic crystals. For this reason, protein…

Soft Condensed Matter · Physics 2021-03-02 Debayan Chakraborty , Mauro Lorenzo Mugnai , D. Thirumalai

Protein structure prediction is pivotal for understanding the structure-function relationship of proteins, advancing biological research, and facilitating pharmaceutical development and experimental design. While deep learning methods and…

Machine Learning · Computer Science 2024-12-30 Kaihui Cheng , Ce Liu , Qingkun Su , Jun Wang , Liwei Zhang , Yining Tang , Yao Yao , Siyu Zhu , Yuan Qi

We study analytically the tracer particle mobility in single-file systems with distributed friction constants. Our system serves as a prototype for non-equilibrium, heterogeneous, strongly interacting Brownian systems. The long time…

Statistical Mechanics · Physics 2015-06-18 Michael A. Lomholt , Tobias Ambjornsson

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

We investigate the dynamics of a particle moving randomly along a disordered hetero-polymer subjected to rapid conformational changes which induce superdiffusive motion in chemical coordinates. We study the antagonistic interplay between…

Statistical Mechanics · Physics 2009-11-10 D. Brockmann , T. Geisel

We extend the Rouse model of polymer dynamics to situations of non-stationary chain growth. For a dragged polymer chain of length $N(t) = t^\alpha$, we find two transitions in conformational dynamics. At $\alpha= 1/2$, the propagation of…

Soft Condensed Matter · Physics 2016-07-25 Ali Malek , Reiner Kree

In this paper, we study the large-scale protein interaction network of yeast uti lizing a stochastic method based upon percolation of random graphs. In order to find the global features of connectivities in the network, we introduce numeric…

Statistical Mechanics · Physics 2007-05-23 Chen-Shan Chin , Manoj Pratim Samanta

In this paper we investigate the role of native geometry on the kinetics of protein folding based on simple lattice models and Monte Carlo simulations. Results obtained within the scope of the Miyazawa-Jernigan indicate the existence of two…

Biomolecules · Quantitative Biology 2007-05-23 P. F. N. Faisca , M. M. Telo da Gama

A method for reconstructing the energy landscape of simple polypeptidic chains is described. We show that we can construct an equivalent representation of the energy landscape by a suitable directed graph. Its topological and dynamical…

Soft Condensed Matter · Physics 2010-01-10 L. Bongini , L. Casetti , R. Livi , A. Politi , A. Torcini

Cellular functions are established through biological evolution, but are constrained by the laws of physics. For instance, the physics of protein folding limits the lengths of cellular polypeptide chains. Consequently, many cellular…

Biological Physics · Physics 2019-07-09 Pablo Sartori , Stanislas Leibler

Proteins fold using a two-state or multi-state kinetic mechanisms, but up to now there isn't a first-principle model to explain this different behaviour. We exploit the network properties of protein structures by introducing novel…

Molecular Networks · Quantitative Biology 2015-12-04 Giulia Menichetti , Piero Fariselli , Daniel Remondini

Assuming that mutation and fixation processes are reversible Markov processes, we prove that the equilibrium ensemble of sequences obeys a Boltzmann distribution with $\exp(4N_e m(1 - 1/(2N)))$, where $m$ is Malthusian fitness and $N_e$ and…

Populations and Evolution · Quantitative Biology 2024-08-20 Sanzo Miyazawa

Protein folding and design are major biophysical problems, the solution of which would lead to important applications especially in medicine. Here a novel protein model capable of simultaneously provide quantitative protein design and…

Biological Physics · Physics 2015-06-22 Ivan Coluzza

The frequency distribution of DNA bases A, C, G, T exhibit fractal fluctuations ubiquitous to dynamical systems in nature. The power spectra of fractal fluctuations exhibit inverse power law form signifying long-range correlations between…

General Physics · Physics 2011-03-07 A. M. Selvam

We propose a general method for predicting potentially good folders from a given number of amino acid sequences. Our approach is based on the calculation of the rate of convergence of each amino acid chain towards the native structure using…

Biological Physics · Physics 2013-02-07 Dmitry K. Gridnev , Pedro Ojeda-May , Martin E. Garcia

The discovery of two fundamental laws concerning cellular dynamics with recursive growth is reported. First, the chemical abundances measured over many cells are found to obey a log-normal distribution and second, the relationship between…

Molecular Networks · Quantitative Biology 2007-05-23 Chikara Furusawa , Takao Suzuki , Akiko Kashiwagi , Tetsuya Yomo , Kunihiko Kaneko

The question of whether proteins originate from random sequences of amino acids is addressed. A statistical analysis is performed in terms of blocked and random walk values formed by binary hydrophobic assignments of the amino acids along…

chem-ph · Physics 2009-10-28 Anders Irbäck , Carsten Peterson , Frank Potthast

The concept of a protein diffusing in its free energy folding landscape has been fruitful for both theory and experiment. Yet the choice of the reaction coordinate (RC) introduces an undesirable degree of arbitrariness into the problem. We…

Biological Physics · Physics 2015-05-19 Michael Hinczewski , Yann von Hansen , Joachim Dzubiella , Roland R. Netz

Using an example of physical interactions between proteins, we study how perturbations propagate in interconnected networks whose equilibrium state is governed by the law of mass action. We introduce a comprehensive matrix formalism which…

Molecular Networks · Quantitative Biology 2009-11-13 Sergei Maslov , Kim Sneppen , Iaroslav Ispolatov

We discuss a model of protein conformations where the conformations are combinations of short fragments from some small set. For these fragments we consider a distribution of frequencies of occurrence of pairs (sequence of amino acids,…

Biomolecules · Quantitative Biology 2016-07-05 S. V. Kozyrev