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Aspartate carbamoyltransferase (ATCase) is a large dodecameric enzyme with six active sites that exhibits allostery: its catalytic rate is modulated by the binding of various substrates at distal points from the active sites. A recently…

Quantitative Methods · Quantitative Biology 2019-09-30 Maxwell Hodges , Mauricio Barahona , Sophia N. Yaliraki

Understanding of the evolutionary origins of protein structures represents a key component of the understanding of molecular evolution as a whole. Here we seek to elucidate how the features of an underlying protein structural "space" might…

Soft Condensed Matter · Physics 2009-11-10 Eric J. Deeds , Nikolay V. Dokholyan , Eugene I. Shakhnovich

Protein-protein binding enables orderly and lawful biological self-organization, and is therefore considered a miracle of nature. Protein-protein binding is steered by electrostatic forces, hydrogen bonding, van der Waals force, and…

Biomolecules · Quantitative Biology 2022-02-23 Lin Yang , Shuai Guo , Chengyu Hou , Chencheng Liao , Jiacheng Li , Liping Shi , Xiaoliang Ma , Shenda Jiang , Bing Zheng , Yi Fang , Lin Ye , Xiaodong He

Short-range interactions and long-range contacts drive the 3D folding of structured proteins. The proteins' structure has a direct impact on their biological function. However, nearly 40% of the eukaryotes proteome is composed of…

Post-Translational Modifications (PTMs) are known to play a critical role in the regulation of the protein functions. Their impact on protein structures, and their link to disorder regions have already been spotted on the past decade.…

Quantitative Methods · Quantitative Biology 2019-08-15 Pierrick Craveur , Tarun Narwani , Joseph Rebehmed , Alexandre de Brevern

We have shown recently that the notion of poking pairwise interactions along a chain provides a unifying framework for understanding the formation of both secondary and the tertiary protein structure based on symmetry and geometry.…

Soft Condensed Matter · Physics 2023-12-13 Tatjana Škrbić , Achille Giacometti , Trinh X. Hoang , Amos Maritan , Jayanth R. Banavar

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

A model to describe the mechanism of conformational dynamics in protein based on matter interactions using lagrangian approach and imposing certain symmetry breaking is proposed. Both conformation changes of proteins and the injected…

Biological Physics · Physics 2015-03-13 M. Januar , A. Sulaiman , L. T. Handoko

The protein folding is regarded as a quantum transition between torsion states on polypeptide chain. The deduction of the folding rate formula in our previous studies is reviewed. The rate formula is generalized to the case of frequency…

Biomolecules · Quantitative Biology 2010-08-24 Liaofu Luo

The presence of nuclear pasta is expected to modify the transport properties in the mantle of neutron stars. The non-spherical geometry of the pasta nuclear clusters leads to anisotropies in the collision frequencies, impacting the thermal…

Nuclear Theory · Physics 2023-05-04 Mateus R. Pelicer , Marco Antonelli , Débora P. Menezes , Francesca Gulminelli

Long, flexible physical filaments are naturally tangled and knotted, from macroscopic string down to long-chain molecules. The existence of knotting in a filament naturally affects its configuration and properties, and may be very stable or…

Biomolecules · Quantitative Biology 2016-11-21 Keith Alexander , Alexander J Taylor , Mark R Dennis

Conformational changes upon protein-protein association are the key element of the binding mechanism. The study presents a systematic large-scale analysis of such conformational changes in the side chains. The results indicate that short…

Biomolecules · Quantitative Biology 2010-10-15 Anatoly M. Ruvinsky , Tatsiana Kirys , Alexander V. Tuzikov , Ilya A. Vakser

Allosteric signaling in biological molecules, which may be viewed as specific action at a distance due to localized perturbation upon binding of ligands or changes in environmental cues, is pervasive in biology. Phenomenological MWC and KNF…

Soft Condensed Matter · Physics 2022-02-28 D. Thirumalai , Changbong Hyeon , Pavel I. Zhuravlev , George H. Lorimer

Biopolymers serve as one-dimensional tracks on which motor proteins move to perform their biological roles. Motor protein phenomena have inspired theoretical models of one-dimensional transport, crowding, and jamming. Experiments studying…

Biological Physics · Physics 2016-05-25 Hui-Shun Kuan , M. D. Betterton

In the course of evolution, proteins undergo important changes in their amino acid sequences, while their three-dimensional folded structure and their biological function remain remarkably conserved. Thanks to modern sequencing techniques,…

Biomolecules · Quantitative Biology 2019-10-07 Simona Cocco , Christoph Feinauer , Matteo Figliuzzi , Remi Monasson , Martin Weigt

We use a statistical mechanical model to study nonthermal denaturation of DNA in the presence of protein-mediated loops. We find that looping proteins which randomly link DNA bases located at a distance along the chain could cause a…

Soft Condensed Matter · Physics 2009-12-22 K. G. Petrosyan , Chin-Kun Hu

Many native structures of proteins accomodate complex topological motifs such as knots, lassos, and other geometrical entanglements. How proteins can fold quickly even in the presence of such topological obstacles is a debated question in…

Soft Condensed Matter · Physics 2020-10-07 Federico Norbiato , Flavio Seno , Antonio Trovato , Marco Baiesi

Specific protein-protein interactions are crucial in the cell, both to ensure the formation and stability of multi-protein complexes, and to enable signal transduction in various pathways. Functional interactions between proteins result in…

Biological Physics · Physics 2016-11-21 Anne-Florence Bitbol , Robert S. Dwyer , Lucy J. Colwell , Ned S. Wingreen

Proteins are the major building blocks of life, and actuators of almost all chemical and biophysical events in living organisms. Their native structures in turn enable their biological functions which have a fundamental role in drug design.…

The analysis of the three-dimensional structure of proteins is an important topic in molecular biochemistry. Structure plays a critical role in defining the function of proteins and is more strongly conserved than amino acid sequence over…

Applications · Statistics 2015-01-19 Abel Rodriguez , Scott C. Schmidler