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Residue-residue interactions that fold a protein into a unique three-dimensional structure and make it play a specific function impose structural and functional constraints on each residue site. Selective constraints on residue sites are…

Biomolecules · Quantitative Biology 2013-01-18 Sanzo Miyazawa

Protein folding cooperativity is defined by the nature of the finite-size thermodynamic transition exhibited upon folding: two-state transitions show a free energy barrier between the folded and unfolded ensembles, while downhill folding is…

Biomolecules · Quantitative Biology 2017-08-23 Tristan Bereau , Michael Bachmann , Markus Deserno

For the vast majority of naturally occurring, small, single domain proteins folding is often described as a two-state process that lacks detectable intermediates. This observation has often been rationalized on the basis of a nucleation…

Biomolecules · Quantitative Biology 2007-07-09 R. D. M. Travasso , P. F. N. Faisca , M. M. Telo da Gama

The regulation of a gene depends on the binding of transcription factors to specific sites located in the regulatory region of the gene. The generation of these binding sites and of cooperativity between them are essential building blocks…

Statistical Mechanics · Physics 2007-05-23 Johannes Berg , Stana Willmann , Michael Lässig

The formation of protein patterns inside cells is generically described by reaction-diffusion models. The study of such systems goes back to Turing, who showed how patterns can emerge from a homogenous steady state when two reactive…

Biological Physics · Physics 2020-02-26 Manon C. Wigbers , Fridtjof Brauns , Tobias Hermann , Erwin Frey

An Ising--like model of proteins is used to investigate the mechanical unfolding of the Green Fluorescent Protein along different directions. When the protein is pulled from its ends, we recover the major and minor unfolding pathways…

Soft Condensed Matter · Physics 2011-08-16 M. Caraglio , A. Imparato , A. Pelizzola

Predicting protein properties is paramount for biological and medical advancements. Current protein engineering mutates on a typical protein, called the wild-type, to construct a family of homologous proteins and study their properties.…

Machine Learning · Computer Science 2024-06-26 Zhiqiang Zhong , Davide Mottin

Currently, we are overwhelmed by a deluge of experimental data, and network physics has the potential to become an invaluable method to increase our understanding of large interacting datasets. However, this potential is often unrealized…

Data Analysis, Statistics and Probability · Physics 2017-10-30 Juyong Lee , Steven P. Gross , Jooyoung Lee

Exploring and understanding the protein-folding problem has been a long-standing challenge in molecular biology. Here, using molecular dynamics simulation, we reveal how parallel distributed adjacent planar peptide groups of unfolded…

Biomolecules · Quantitative Biology 2019-01-11 Xiaoliang Ma , Chengyu Hou , Liping Shi , Long Li , Jiacheng Li , Lin Ye , Lin Yang , Xiaodong He

Phase separation has emerged as an essential concept for the spatial organization inside biological cells. However, despite the clear relevance to virtually all physiological functions, we understand surprisingly little about what phases…

Biological Physics · Physics 2022-08-10 David Zwicker , Liedewij Laan

Computational elucidation of membrane protein (MP) structures is challenging partially due to lack of sufficient solved structures for homology modeling. Here we describe a high-throughput deep transfer learning method that first predicts…

Biomolecules · Quantitative Biology 2017-08-29 Sheng Wang , Zhen Li , Yizhou Yu , Jinbo Xu

Protein translation is a multistep process which can be represented as a cascade of biochemical reactions (initiation, ribosome assembly, elongation, etc.), the rate of which can be regulated by small non-coding microRNAs through multiple…

Molecular Networks · Quantitative Biology 2010-03-09 Andrei Zinovyev , Nadya Morozova , Nora Nonne , Emmanuel Barillot , Annick Harel-Bellan , Alexander N. Gorban

Physical interactions between proteins are often difficult to decipher. The aim of this paper is to present an algorithm designed to recognize binding patches and supporting structural scaffolds of interacting heterodimer protein chains…

Biomolecules · Quantitative Biology 2016-09-22 Ognjen Perišić

The effect of interactions on dynamics of coupled motor proteins is investigated theoretically. A simple stochastic discrete model, that allows to calculate explicitly the dynamic properties of the system, is developed. It is shown that…

Soft Condensed Matter · Physics 2009-11-11 Evgeny B. Stukalin , Anatoly B. Kolomeisky

We propose a general method for predicting potentially good folders from a given number of amino acid sequences. Our approach is based on the calculation of the rate of convergence of each amino acid chain towards the native structure using…

Biological Physics · Physics 2013-02-07 Dmitry K. Gridnev , Pedro Ojeda-May , Martin E. Garcia

Protein-protein interactions drive many biological processes, including the detection of phytopathogens by plants' R-Proteins and cell surface receptors. Many machine learning studies have attempted to predict protein-protein interactions…

Machine Learning · Computer Science 2023-10-24 Ruth Veevers , Dan MacLean

We propose a model of parameter learning for signal transduction, where the objective function is defined by signal transmission efficiency. We apply this to learn kinetic rates as a form of evolutionary learning, and look for parameters…

Molecular Networks · Quantitative Biology 2014-08-12 Gabriele Scheler

Methods in the field of quickest change detection rapidly detect in real-time a change in the data-generating distribution of an online data stream. Existing methods have been able to detect this change point when the densities of the pre-…

Methodology · Statistics 2025-07-09 Sean Moushegian , Suya Wu , Enmao Diao , Jie Ding , Taposh Banerjee , Vahid Tarokh

Normal mode analysis is a widely used technique for reconstructing conformational changes of proteins from the knowledge of native structures. In this Letter, we investigate to what extent normal modes capture the salient features of the…

Statistical Mechanics · Physics 2015-05-13 Francesco Piazza , Paolo De Los Rios , Fabio Cecconi

In molecular communications, the direct detection of signaling molecules may be challenging due to a lack of suitable sensors and interference in the environment. Motivated by research in molecular biology, we investigate an indirect…

Information Theory · Computer Science 2022-04-25 Trang Ngoc Cao , Vahid Jamali , Wayan Wicke , Phee Lep Yeoh , Nikola Zlatanov , Jamie S Evans , Robert Schober
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