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Function of proteins or a network of interacting proteins often involves communication between residues that are well separated in sequence. The classic example is the participation of distant residues in allosteric regulation.…

Biomolecules · Quantitative Biology 2007-05-23 Ruxandra I. Dima , D. Thirumalai

Background:Typically, proteins perform key biological functions by interacting with each other. As a consequence, predicting which protein pairs interact is a fundamental problem. Experimental methods are slow, expensive, and may be error…

Biomolecules · Quantitative Biology 2022-02-08 Leonardo Martini , Adriano Fazzone , Luca Becchetti

The evolutionary trajectory of a protein through sequence space is constrained by function and three-dimensional (3D) structure. Residues in spatial proximity tend to co-evolve, yet attempts to invert the evolutionary record to identify…

Biomolecules · Quantitative Biology 2015-03-13 Debora S. Marks , Lucy J. Colwell , Robert Sheridan , Thomas A. Hopf , Andrea Pagnani , Riccardo Zecchina , Chris Sander

The prediction of the three-dimensional structures of the native state of proteins from the sequences of their amino acids is one of the most important challenges in molecular biology. An essential ingredient to solve this problem within…

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

Driven suspensions, where energy is input at a particle scale, are a framework for understanding general principles of out-of-equilibrium organization. A large number of simple interacting units can give rise to non-trivial structure and…

Soft Condensed Matter · Physics 2026-01-23 Pamud Akalanka Bethmage , Ryker Fish , Brennan Sprinkle , Michelle M. Driscoll

We discuss a stochastic approach for reconstructing the native structures of proteins from the knowledge of the "effective connectivity", which is a one-dimensional structural profile constructed as a linear combination of the eigenvectors…

Biological Physics · Physics 2009-01-20 Katrin Wolff , Michele Vendruscolo , Markus Porto

In this work, we propose a novel centrality metric, referred to as star centrality, which incorporates information from the closed neighborhood of a node, rather than solely from the node itself, when calculating its topological importance.…

Quantitative Methods · Quantitative Biology 2018-03-15 Chrysafis Vogiatzis , Mustafa Can Camur

Protein pattern formation is essential for the spatial organization of many intracellular processes like cell division, flagellum positioning, and chemotaxis. A prominent example of intracellular patterns are the oscillatory pole-to-pole…

Biological Physics · Physics 2018-02-21 Erwin Frey , Jacob Halatek , Simon Kretschmer , Petra Schwille

Network models with preferential attachment, where new nodes are injected into the network and form links with existing nodes proportional to their current connectivity, have been well studied for some time. Extensions have been introduced…

Physics and Society · Physics 2013-06-26 James P. Bagrow , Dirk Brockmann

Identification and alignment of three-dimensional folding of proteins may yield useful information about relationships too remote to be detected by conventional methods, such as sequence comparison, and may potentially lead to prediction of…

Quantitative Methods · Quantitative Biology 2017-01-10 Barış Ekim

We present a statistical approach to protein structure by introducing a representation of protein folds based on simple observables defined as frequencies of oriented cycles in contact graphs. Motivated by the idea that these cycles may…

Biomolecules · Quantitative Biology 2016-09-08 A. M. Lisewski , O. Lichtarge

Natively unfolded proteins exist as an ensemble of flexible conformations lacking a well defined tertiary structure along a large portion of their polypeptide chain. Despite the absence of a stable configuration, they are involved in…

Genomics · Quantitative Biology 2008-07-14 Antonio Deiana , Andrea Giansanti

Proteins employ the information stored in the genetic code and translated into their sequences to carry out well-defined functions in the cellular environment. The possibility to encode for such functions is controlled by the balance…

Biomolecules · Quantitative Biology 2018-05-24 A. Possenti , M. Vendruscolo , C. Camilloni , G. Tiana

Models of protein energetics which neglect interactions between amino acids that are not adjacent in the native state, such as the Go model, encode or underlie many influential ideas on protein folding. Implicit in this simplification is a…

Biomolecules · Quantitative Biology 2009-10-08 Brian C. Gin , Juan P. Garrahan , Phillip L. Geissler

Natural protein sequences that self-assemble to form globular structures are compact with high packing densities in the folded states. It is known that proteins unfold upon addition of denaturants, adopting random coil structures. The…

Biomolecules · Quantitative Biology 2016-12-02 Himadri S. Samanta , Pavel I. Zhuravlev , Michael Hinczewski , Naoto Hori , Shaon Chakrabarti , D. Thirumalai

Protein conformational transitions, which are essential for function, may be driven either by entropy or enthalpy when molecular systems comprising solute and solvent molecules are the focus. Revealing thermodynamic origin of a given…

Biomolecules · Quantitative Biology 2015-05-04 Kai Wang , Shiyang Long , Zhiming Zhang , Lanru Liu , Qimeng Wang , Pu Tian

We investigate the behavior of extended urban traffic networks within the framework of percolation theory by using real and synthetic traffic data. Our main focus shifts from the statistical properties of the cluster size distribution…

Physics and Society · Physics 2021-07-21 Marco Cogoni , Giovanni Busonera

The principles underlying protein folding remains one of Nature's puzzles with important practical consequences for Life. An approach that has gathered momentum since the late 1990's, looks at protein hetero-polymers and their folding…

Computational Engineering, Finance, and Science · Computer Science 2011-10-05 Susan Khor

Statistics of distinguishable particles has become relevant in systems of colloidal particles and in the context of applications of statistical mechanics to complex networks. When studying these type of systems with the standard textbook…

Statistical Mechanics · Physics 2016-08-24 A. Fernandez-Peralta , Raul Toral

Chemotaxis receptors in E. coli form clusters at the cell poles and also laterally along the cell body, and this clustering plays an important role in signal transduction. Recently, experiments using flourrescence imaging have shown that,…

Statistical Mechanics · Physics 2008-11-29 Hui Wang , Ned S. Wingreen , Ranjan Mukhopadhyay