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Recent advances in coarse-grained lattice and off-lattice protein models are reviewed. The sequence dependence of thermodynamical folding properties are investigated and evidence for non-randomness of the binary sequences of good folders…

High Energy Physics - Lattice · Physics 2015-06-25 C. Peterson

The molecular network in an organism consists of transcription/translation regulation, protein-protein interactions/modifications and a metabolic network, together forming a system that allows the cell to respond sensibly to the multiple…

Molecular Networks · Quantitative Biology 2007-05-23 Sandeep Krishna , Anna M. C. Andersson , Szabolcs Semsey , Kim Sneppen

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

Eukaryotic transcription generally occurs in bursts of activity lasting minutes to hours; however, state-of-the-art measurements have revealed that many of the molecular processes that underlie bursting, such as transcription factor binding…

Subcellular Processes · Quantitative Biology 2020-12-21 Nicholas C. Lammers , Yang Joon Kim , Jiaxi Zhao , Hernan G. Garcia

In spite of decades of research, much remains to be discovered about folding: the detailed structure of the initial (unfolded) state, vestigial folding instructions remaining only in the unfolded state, the interaction of the molecule with…

Biological Physics · Physics 2018-11-26 Walter A. Simmons

Binary change detection in bi-temporal co-registered hyperspectral images is a challenging task due to a large number of spectral bands present in the data. Researchers, therefore, try to handle it by reducing dimensions. The proposed work…

Computer Vision and Pattern Recognition · Computer Science 2021-09-13 Debasrita Chakraborty , Ashish Ghosh

Efficient energy transduction is one driver of evolution; and thus understanding biomolecular energy transduction is crucial to understanding living organisms. As an energy-orientated modelling methodology, bond graphs provide a useful…

Molecular Networks · Quantitative Biology 2018-06-11 Peter J. Gawthrop , Edmund J. Crampin

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

Protein folding is one of the age-old biological problems that refers to the mechanism of understanding and predicting how a protein's linear sequence of amino acids folds into its specific three dimensional structure.This structure is…

To ensure that a robot is able to accomplish an extensive range of tasks, it is necessary to achieve a flexible combination of multiple behaviors. This is because the design of task motions suited to each situation would become increasingly…

Robotics · Computer Science 2023-10-04 Kanata Suzuki , Hiroki Mori , Tetsuya Ogata

Biological networks provide insight into the complex organization of biological processes in a cell at the system level. They are an effective tool for understanding the comprehensive map of functional interactions, finding the functional…

Molecular Networks · Quantitative Biology 2017-09-14 Somaye Hashemifar

Branch-specific substitution models are popular for detecting evolutionary change-points, such as shifts in selective pressure. However, applying such models typically requires prior knowledge of change-point locations on the phylogeny or…

Populations and Evolution · Quantitative Biology 2026-05-06 Xiang Ji , Benjamin Redelings , Shuo Su , Hongcun Bao , Wu-Min Deng , Samuel L. Hong , Guy Baele , Philippe Lemey , Marc A. Suchard

Protein-DNA interactions are crucial for all biological processes. One of the most important fundamental aspects of these interactions is the process of protein searching and recognizing specific binding sites on DNA. A large number of…

Subcellular Processes · Quantitative Biology 2015-09-30 Martin Lange , Maria Kochugaeva , Anatoly B. Kolomeisky

The field of protein-ligand pose prediction has seen significant advances in recent years, with machine learning-based methods now being commonly used in lieu of classical docking methods or even to predict all-atom protein-ligand complex…

Biomolecules · Quantitative Biology 2024-10-01 David Errington , Constantin Schneider , Cédric Bouysset , Frédéric A. Dreyer

We introduce a graph generating model aimed at representing the evolution of protein interaction networks. The model is based on the hypotesis of evolution by duplications and divergence of the genes which produce proteins. The obtained…

Statistical Mechanics · Physics 2007-05-23 A. Vazquez , A. Flammini , A. Maritan , A. Vespignani

On the microscopic level, biological signal transmission relies on coordinated structural changes in allosteric proteins that involve sensor and effector modules. The timescales and microscopic details of signal transmission in proteins are…

Soft Condensed Matter · Physics 2024-03-20 Anil Kumar Sahoo , Richard Schwarzl , Markus S. Miettinen , Roland R. Netz

DNA shape readout is an important mechanism of target site recognition by transcription factors, in addition to the sequence readout. Several models of transcription factor-DNA binding which consider DNA shape have been developed in recent…

Biomolecules · Quantitative Biology 2017-11-30 Kirill Batmanov , Junbai Wang

We present a method that compares the protein interaction networks of two species to detect functionally similar (conserved) protein modules between them. The method is based on an algorithm we developed to identify matching subgraphs…

Molecular Networks · Quantitative Biology 2007-05-23 Manikandan Narayanan , Richard M. Karp

The atomistic characterization of the transition state is a fundamental step to improve the understanding of the folding mechanism and the function of proteins. From a computational point of view, the identification of the conformations…

Biomolecules · Quantitative Biology 2015-06-05 Guido Tiana , Carlo Camilloni

Change-point detection (CPD) aims to detect abrupt changes over time series data. Intuitively, effective CPD over multivariate time series should require explicit modeling of the dependencies across input variables. However, existing CPD…

Machine Learning · Computer Science 2020-09-15 Ruohong Zhang , Yu Hao , Donghan Yu , Wei-Cheng Chang , Guokun Lai , Yiming Yang