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A model for studying the ultrametricity of the energy landscape in a disordered heteropolymer is presented. It is treated as a simplified model of a protein molecule in which amino acid residues are modeled as point masses. Pairwise…

Disordered Systems and Neural Networks · Physics 2026-03-16 A. Kh. Bikulov , A. P. Zubarev

Collective behavior of proteins on biomembranes is usually studied within the spontaneous curvature model. Here we consider an alternative phenomenological approach, which accounts consistently for partial ordering of proteins as well as…

Soft Condensed Matter · Physics 2014-09-03 O. V. Manyuhina

Nucleosome core particle is a dynamic structure -- DNA may transiently peel off the histone octamer surface due to thermal fluctuations or the action of chromatin remodeling enzymes. Partial DNA unwrapping enables easier access of…

Genomics · Quantitative Biology 2018-10-17 Răzvan V. Chereji , Alexandre V. Morozov

Studies of how protein fold have shown that the way protein clumps form in the test tube is similar to how proteins form the so-called ``amyloid'' deposits that are the pathological signal of a variety of diseases, among them the memory…

Condensed Matter · Physics 2009-10-31 R. A. Broglia , G. Tiana , S. Pasquali , H. E. Roman , E. Vigezzi

Atomic packing is an important metric for characterizing protein structures, as it significantly influences various features including the stability, the rate of evolution and the functional roles of proteins. Packing in protein structures…

Biomolecules · Quantitative Biology 2025-05-27 Sotirios Touliopoulos , Nicholas M. Glykos

The information regarding the structure of a single protein is encoded in the network of interacting amino acids. Considering each protein as a weighted and unweighted network of amino acids we have analyzed a total of forty nine protein…

Molecular Networks · Quantitative Biology 2015-06-26 Md. Aftabuddin , Sudip Kundu

The twenty protein coding amino acids are found in proteomes with different relative abundances. The most abundant amino acid, leucine, is nearly an order of magnitude more prevalent than the least abundant amino acid, cysteine. Amino acid…

Populations and Evolution · Quantitative Biology 2014-03-20 Teresa Krick , David A. Shub , Nina Verstraete , Diego U. Ferreiro , Leonardo G. Alonso , Michael Shub , Ignacio E. Sanchez

Recent years have seen tremendous developments in the use of machine learning models to link amino acid sequence, structure and function of folded proteins. These methods are, however, rarely applicable to the wide range of proteins and…

Biomolecules · Quantitative Biology 2025-02-27 Sören von Bülow , Giulio Tesei , Kresten Lindorff-Larsen

The conformational dynamics of a single protein molecule in a shear flow is investigated using Brownian dynamics simulations. A structure-based coarse grained model of a protein is used. We consider two proteins, ubiquitin and integrin, and…

Biomolecules · Quantitative Biology 2009-11-13 P. Szymczak , Marek Cieplak

Proteins are biological polymers that underlie all cellular functions. The first high-resolution protein structures were determined by x-ray crystallography in the 1960s. Since then, there has been continued interest in understanding and…

Soft Condensed Matter · Physics 2017-06-20 Jennifer C. Gaines , Abram H. Clark , Lynne Regan , Corey S. O'Hern

Intrinsically disordered regions of proteins play a crucial role in cell signaling and drug discovery. However, their high structural flexibility makes accurate residue-level prediction challenging. Existing methods often rely on…

Neural and Evolutionary Computing · Computer Science 2026-03-09 Shaokuan Wang , Pengshan Cui , Yining Qian , An-Yang Lu , Xianpeng Wang

The Unfolded Protein Response is the cell mechanism for maintaining the balance of properly folded proteins in the endoplasmic reticulum , the specialized cellular compartment. Although it is largely studied from a biological point of view,…

Molecular Networks · Quantitative Biology 2023-04-05 Nicole Luchetti , Alessandro Loppini , Margherita Anna Grazia Matarrese , Letizia Chiodo , Simonetta Filippi

This paper builds upon the fundamental work of Niwa et al. [34], which provides the unique possibility to analyze the relative aggregation/folding propensity of the elements of the entire Escherichia coli (E. coli) proteome in a cell-free…

Computational Engineering, Finance, and Science · Computer Science 2015-07-22 Lorenzo Livi , Alessandro Giuliani , Antonello Rizzi

Heterogeneity in biological molecules, resulting in molecule-to-molecule variations in their dynamics and function, is an emerging theme. To elucidate the consequences of heterogeneous behavior at the single molecule level, we propose an…

Biological Physics · Physics 2017-01-24 Changbong Hyeon , Michael Hinczewski , D. Thirumalai

Multiple phenotypic protein expressions arising from one genome represent variations in the protein relative abundance and their stoichiometry. A lack of definite compositional parts challenges the modeling of protein megacomplexes and…

Biomolecules · Quantitative Biology 2026-02-24 Jiayi Wang , Jules Nde , Andrei G. Gasic , Jacob Haseley , Margaret S. Cheung

How proteins fold remains a central unsolved problem in biology. While the idea of a folding code embedded in the amino acid sequence was introduced more than 6 decades ago, this code remains undefined. While we now have powerful predictive…

Biomolecules · Quantitative Biology 2025-11-04 Carlos Bustamante , Christian Kaiser , Erik Lindahl , Robert Sosa , Giovanni Volpe

Proteins in organisms, rather than act alone, usually form protein complexes to perform cellular functions. We analyze the topological network structure of protein complexes and their component proteins in the budding yeast in terms of the…

Quantitative Methods · Quantitative Biology 2011-08-16 Sang Hoon Lee , Pan-Jun Kim , Hawoong Jeong

The protein folding problem has attracted an increasing attention from physicists. The problem has a flavor of statistical mechanics, but possesses the most common feature of most biological problems -- the profound effects of evolution. I…

Statistical Mechanics · Physics 2009-10-31 Chao Tang

A number of recently discovered protein structures incorporate a rather unexpected structural feature: a knot in the polypeptide backbone. These knots are extremely rare, but their occurrence is likely connected to protein function in as…

Biological Physics · Physics 2007-05-23 Peter Virnau , Leonid A. Mirny , Mehran Kardar

Intrinsically disordered proteins participate in many biological processes by folding upon binding with other proteins. However, coupled folding and binding processes are not well understood from an atomistic point of view. One of the main…

Biomolecules · Quantitative Biology 2023-02-22 Pablo Herrera-Nieto , Adrià Pérez , Gianni De Fabritiis