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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

Proteins work only if folded in their native state, but changes in temperature T and pressure P induce their unfolding. Therefore for each protein there is a stability region (SR) in the T-P thermodynamic plane outside which the biomolecule…

Soft Condensed Matter · Physics 2017-04-12 Valentino Bianco , Neus Pagès Gelabert , Ivan Coluzza , Giancarlo Franzese

We present an analytical theory for heteropolymer deformation, as exemplified experimentally by stretching of single protein molecules. Using a mean-field replica theory, we determine phase diagrams for stress-induced unfolding of typical…

Statistical Mechanics · Physics 2009-11-07 Phillip L. Geissler , Eugene I. Shakhnovich

Understanding the observed variability in the number of homologs of a gene is a very important, unsolved problem that has broad implications for research into co-evolution of structure and function, gene duplication, pseudogene formation…

Biomolecules · Quantitative Biology 2007-05-23 Boris Shakhnovich , Eric Deeds , Charles Delisi , Eugene Shakhnovich

An all-atom model of proteins is used to show that the same sequence of amino acids can have many alternative structures, that are very distant from, and that can be as stable as, the corresponding native structure. Such alternative…

Biological Physics · Physics 2008-02-11 Leonor Cruzeiro

We analyse the unfolding pathway of biomolecules comprising several independent modules in pulling experiments. In a recently proposed model, a critical velocity $v_{c}$ has been predicted, such that for pulling speeds $v>v_{c}$ it is the…

Soft Condensed Matter · Physics 2018-07-03 Carlos A. Plata , Antonio Prados

We summarize the recent simulation progress of micromanipulation experiments on RNAs. Our work mainly consults with two important small RNAs unfolding experiments carried out by Bustamante group. Our results show that, in contrast to…

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

Homologous gene shuffling between DNA promotes genetic diversity and is an important pathway for DNA repair. For this to occur, homologous genes need to find and recognize each other. However, despite its central role in homologous…

Biological Physics · Physics 2014-12-04 Dominic J. Lee , Aaron Wynveen , Tim Albrecht , Alexei A. Kornyshev

Mechanical single molecule experiments probe the energy profile of biomolecules. We show that in the case of a profile with two minima (like folded/unfolded) periodic driving leads to a stochastic resonance-like phenomenon. We demonstrate…

Soft Condensed Matter · Physics 2009-11-10 O. Braun , U. Seifert

The lifetime of protein domains and ligand-receptor complexes under force is crucial for mechanosensitive functions, while many aspects of how force affects the lifetime still remain poorly understood. Here, we report a new analytical…

Biological Physics · Physics 2018-02-15 Shiwen Guo , Qingnan Tang , Mingxi Yao , Shimin Le , Hu Chen , Jie Yan

It has recently been demonstrated that many biological networks exhibit a scale-free topology where the probability of observing a node with a certain number of edges (k) follows a power law: i.e. p(k) ~ k^-g. This observation has been…

Molecular Networks · Quantitative Biology 2009-11-11 Eric J. Deeds , Orr Ashenberg , Eugene I. Shakhnovich

The dynamics of folding of proteins is studied by means of a phenomenological master equation. The energy distribution is taken as a truncated exponential for the misfolded states plus a native state sitting below the continuum. The…

Soft Condensed Matter · Physics 2007-05-23 Estelle Pitard , Henri Orland

We investigate irreversibility and dissipation in single molecules that cooperatively fold/unfold in a two state manner under the action of mechanical force. We apply path thermodynamics to derive analytical expressions for the average…

Statistical Mechanics · Physics 2009-02-25 Maria Manosas , Alessandro Mossa , Nuria Forns , Josep Maria Huguet , Felix Ritort

We formulate and characterize a model to describe the dynamics of semiflexible polymers in the presence of activity due to motor proteins attached irreversibly to a substrate, and a transverse pulling force acting on one end of the…

Biological Physics · Physics 2016-02-12 Abhishek Chaudhuri , Debasish Chaudhuri

In this paper, we introduce an approach to the protein folding problem from the point of view of statistical physics. Protein folding is a stochastic process by which a polypeptide folds into its characteristic and functional 3D structure…

Statistical Mechanics · Physics 2011-04-26 Jinzhi Lei , Kerson Huang

A microscopic theory of the free energy barriers and folding routes for minimally frustrated proteins is presented, greatly expanding on the presentation of the variational approach outlined previously [J. J. Portman, S. Takada, P. G.…

Soft Condensed Matter · Physics 2009-10-31 John J. Portman , Shoji Takada , Peter G. Wolynes

Understanding the protein folding process is an outstanding issue in biophysics; recent developments in molecular dynamics simulation have provided insights into this phenomenon. However, the large freedom of atomic motion hinders the…

Computational Physics · Physics 2020-06-18 Takashi Ichinomiya , Ippei Obayashi , Yasuaki Hiraoka

Many protein systems fold in a two-state manner. Random models, however, rarely display two-state kinetics and thus such behavior should not be accepted as a default. To date, many theories for the prevalence of two-state kinetics have been…

Biological Physics · Physics 2015-06-15 Thomas J. Lane , Christian R. Schwantes , Kyle A. Beauchamp , Vijay S. Pande

Factor analysis provides a canonical framework for imposing lower-dimensional structure such as sparse covariance in high-dimensional data. High-dimensional data on the same set of variables are often collected under different conditions,…

Methodology · Statistics 2024-08-27 Noirrit Kiran Chandra , David B. Dunson , Jason Xu

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