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Related papers: Topology, Geometry, and Stability: Protein Folding…

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In this Communication we present statistical analysis of conservation profiles in families of homologous sequences for nine proteins whose folding nucleus was determined by protein engineering methods. We show that in all but one protein…

Biological Physics · Physics 2007-05-23 Leonid Mirny , Eugene Shakhnovich

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

Naturally evolving proteins gradually accumulate mutations while continuing to fold to thermodynamically stable native structures. This process of neutral protein evolution is an important mode of genetic change, and forms the basis for the…

Populations and Evolution · Quantitative Biology 2007-05-23 Jesse D Bloom , Alpan Raval , Claus O Wilke

To determine the 3D conformation of proteins is a necessity to understand their functions or interactions with other molecules. It is commonly admitted that, when proteins fold from their primary linear structures to their final 3D…

Biomolecules · Quantitative Biology 2013-06-07 Jacques M. Bahi , Wojciech Bienia , Nathalie Côté , Christophe Guyeux

We study a physical system which, while devoid of the complexity one usually associates with proteins, nevertheless displays a remarkable array of protein-like properties. The constructive hypothesis that this striking resemblance is not…

Statistical Mechanics · Physics 2009-11-10 Jayanth R. Banavar , Trinh Xuan Hoang , Amos Maritan , Flavio Seno , Antonio Trovato

Protein structure is generally conceptualized as the global arrangement or of smaller, local motifs of helices, sheets, and loops. These regular, recurring secondary structural elements have well-understood and standardized definitions in…

Biomolecules · Quantitative Biology 2009-11-11 Isaac A. Hubner , Eugene I. Shakhnovich

An effective model for protein structures is important for the study of protein geometry, which, to a large extent, determine the functions of proteins. There are a number of approaches for modelling; one might focus on the conformation of…

Biomolecules · Quantitative Biology 2021-11-30 Jørgen Ellegaard Andersen , Jens Ledet Jensen , Yuki Koyanagi , Jakob Toudahl Nielsen , Rasmus Villemoes

Cotranslational folding depends on the folding speed and stability of the nascent protein. It remains difficult, however, to predict which proteins cotranslationally fold. Here, we simulate evolution of model proteins to investigate how…

Biomolecules · Quantitative Biology 2020-10-28 Victor Zhao , William M. Jacobs , Eugene I. Shakhnovich

Lattice models, for their coarse-grained nature, are best suited for the study of the ``designability problem'', the phenomenon in which most of the about 16,000 proteins of known structure have their native conformations concentrated in a…

Biological Physics · Physics 2009-11-07 C. T. Shih , Z. Y. Su , J. F. Gwan , B. L. Hao , C. H. Hsieh , J. L. Lo. , H. C. Lee

Thermal unfolding of proteins is compared to folding and mechanical stretching in a simple topology-based dynamical model. We define the unfolding time and demonstrate its low-temperature divergence. Below a characteristic temperature,…

Biomolecules · Quantitative Biology 2009-11-13 Marek Cieplak , Joanna I. Sulkowska

Proteins are the basic building blocks of life. They usually perform functions by folding to a particular structure. Understanding the folding process could help the researchers to understand the functions of proteins and could also help to…

Computational Engineering, Finance, and Science · Computer Science 2015-10-21 Jianzhu Ma

We review the background, theory and general equations for the analysis of equilibrium protein unfolding experiments, focusing on denaturant and heat-induced unfolding. The primary focus is on the thermodynamics of reversible…

Biological Physics · Physics 2020-12-23 Kresten Lindorff-Larsen , Kaare Teilum

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

Optimal geometrical arrangements, such as the stacking of atoms, are of relevance in diverse disciplines. A classic problem is the determination of the optimal arrangement of spheres in three dimensions in order to achieve the highest…

Soft Condensed Matter · Physics 2007-05-23 Amos Maritan , Cristian Micheletti , Antonio Trovato , Jayanth R. Banavar

Energy landscape theory describes how a full-length protein can attain its native fold by sampling only a tiny fraction of all possible structures. Although protein folding is now understood to be concomitant with synthesis on the ribosome,…

Biomolecules · Quantitative Biology 2014-09-25 David S Tourigny

The energy for protein folding arises from multiple sources and is not large in total. In spite of the many specific successes of energy landscape and other approaches, there still seems to be some missing guiding factor that explains how…

Mathematical Physics · Physics 2011-08-22 Walter Simmons , Joel L. Weiner

Natural proteins fold to a unique, thermodynamically dominant state. Modeling of the folding process and prediction of the native fold of proteins are two major unsolved problems in biophysics. Here, we show successful all-atom ab initio…

Biomolecules · Quantitative Biology 2007-05-23 Jae Shick Yang , William W. Chen , Jeffrey Skolnick , Eugene I. Shakhnovich

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

We introduce a new, simplified model of proteins, which we call protein metastructure. The metastructure of a protein carries information about its secondary structure and $\beta$-strand conformations. Furthermore, protein metastructure…

Biomolecules · Quantitative Biology 2021-11-30 Jørgen Ellegaard Andersen , Hiroyuki Fuji , Yuki Koyanagi

Active matter encompasses different nonequilibrium systems in which individual constituents convert energy into non-conservative forces or motion at the microscale. This review provides an elementary introduction to the role of topology in…

Soft Condensed Matter · Physics 2022-06-28 Suraj Shankar , Anton Souslov , Mark J. Bowick , M. Cristina Marchetti , Vincenzo Vitelli