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While all the information required for the folding of a protein is contained in its amino acid sequence, one has not yet learned how to extract this information to predict the three--dimensional, biologically active, native conformation of…

Biomolecules · Quantitative Biology 2009-11-10 R. A. Broglia , G. Tiana

We consider a lattice model of a semiflexible homopolymer chain in a bad solvent. Beside the temperature $T$, this model is described by (i) a curvature energy $\varepsilon_h$, representing the stiffness of the chain (ii) a…

Condensed Matter · Physics 2009-10-28 S. Doniach , T. Garel , H. Orland

Functional proteins must fold with some minimal stability to a structure that can perform a biochemical task. Here we use a simple model to investigate the relationship between the stability requirement and the capacity of a protein to…

Biomolecules · Quantitative Biology 2009-11-10 Jesse D Bloom , Claus O Wilke , Frances H Arnold , Christoph Adami

We study experimentally the molecular weight $M$ dependence of spreading rates of molecularly thin precursor films, growing at the bottom of droplets of polymer liquids. In accord with previous observations, we find that the radial…

Soft Condensed Matter · Physics 2009-10-31 M. P. Valignat , G. Oshanin , S. Villette , A. M. Cazabat , M. Moreau

With the help of lattice Monte Carlo modelling of heteropolymers, we show that the necessary condition for a protein to fold on short call is to proceed through partially folded intermediates. These elementary structures are formed at an…

Condensed Matter · Physics 2007-05-23 R. A. Broglia , G. Tiana

The protein folding problem is stated and a list of properties that do not depend upon specific molecules is compiled and analyzed. The relationship of this analysis to future simulations is emphasized. The choice of power and time as…

Biological Physics · Physics 2017-09-26 Walter A. Simmons

A reduced protein model with five to six atoms per amino acid and five amino acid types is developed and tested on a three-helix-bundle protein, a 46-amino acid fragment from staphylococcal protein A. The model does not rely on the widely…

Soft Condensed Matter · Physics 2007-05-23 Giorgio Favrin , Anders Irbäck , Stefan Wallin

We present a method to investigate the kinetics of protein folding on a long time-scale and the dynamics underlying the formation of secondary and tertiary structures during the entire reaction. The approach is based on the formal analogy…

Biomolecules · Quantitative Biology 2009-11-11 P. Faccioli , M. Sega , F. Pederiva , H. Orland

We carry out a theoretical study of the vibrational and relaxation properties of naturally-occurring proteins with the purpose of characterizing both the folding and equilibrium thermodynamics. By means of a suitable model we provide a full…

Statistical Mechanics · Physics 2007-05-23 Cristian Micheletti , Gianluca Lattanzi , Amos Maritan

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

Recently described stochastic models of protein evolution have demonstrated that the inclusion of structural information in addition to amino acid sequences leads to a more reliable estimation of evolutionary parameters. We present a…

Populations and Evolution · Quantitative Biology 2020-09-22 Michael Golden , Eduardo García-Portugués , Michael Sørensen , Kanti V. Mardia , Thomas Hamelryck , Jotun Hein

One of the most puzzling and unsolved challenges in molecular biology is understanding how proteins fold. Despite having advanced predictive tools that can accurately estimate the native structures of proteins, we still lack a comprehensive…

Biomolecules · Quantitative Biology 2026-01-13 Jorge Vila

The problem of the directionality of genome evolution is studied. Based on the analysis of C-value paradox and the evolution of genome size we propose that the function-coding information quantity of a genome always grows in the course of…

Genomics · Quantitative Biology 2015-05-13 Liaofu Luo

We study a model describing the force-extension curves of modular proteins, nucleic acids, and other biomolecules made out of several single units or modules. At a mesoscopic level of description, the configuration of the system is given by…

Statistical Mechanics · Physics 2016-10-19 L. L. Bonilla , A. Carpio , A. Prados

Because the constant extension ensemble of single chain molecule is not always equivalent with constant force ensemble, a model of double-stranded conformations, as in RNA molecules and $\beta$-sheets in proteins, with fixed extension…

Soft Condensed Matter · Physics 2007-05-23 Fei Liu , Luru Dai , Tao Xu , Zhong-can Ou-Yang

We propose a universal elastic energy for proteins, which depends only on the radius of gyration $R_{g}$ and the residue number $N$. It is constructed using physical arguments based on the hydrophobic effect and hydrogen bonding. Adjustable…

Statistical Mechanics · Physics 2013-09-26 Jinzhi Lei , Kerson Huang

The structural aspects of polyacrylamide thin films annealed at degradation threshold temperature have been studied as a function of annealing time using in situ X-ray reflectivity technique in vacuum. We observe significant decrease of…

Soft Condensed Matter · Physics 2010-10-29 Mojammel H. Mondal , M. Mukherjee

A coarse-grained variational model is used to investigate the polymer dynamics of barrier crossing for a diverse set of two-state folding proteins. The model gives reliable folding rate predictions provided excluded volume terms that induce…

Biomolecules · Quantitative Biology 2009-11-13 Xianghong Qi , John J. Portman

We propose a general theory to describe the distribution of protein-folding transition paths. We show that transition paths follow a predictable sequence of high-free-energy transient states that are separated by free-energy barriers. Each…

Biomolecules · Quantitative Biology 2016-09-21 William M. Jacobs , Eugene I. Shakhnovich

It has experimentally been found by Lampo et al. [Biophys. J. 112, 532 (2017)] that, for two different types of cell, the distribution of the diffusivities of RNA-protein particles over cytoplasm obeys an exponential law. Then, an…

Biological Physics · Physics 2019-08-02 Yuichi Itto