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As the number of solved protein structures increases, the opportunities for meta-analysis of this dataset increase too. Protein structures are known to be formed of domains; structural and functional subunits that are often repeated across…

Biomolecules · Quantitative Biology 2018-09-19 William P. Grant , Sebastian E. Ahnert

Computational protein-protein interaction (PPI) prediction techniques can contribute greatly in reducing time, cost and false-positive interactions compared to experimental approaches. Sequence is one of the key and primary information of…

Machine Learning · Computer Science 2022-03-29 Soumyadeep Debnath , Ayatullah Faruk Mollah

Understanding the mathematical properties of graphs underling biological systems could give hints on the evolutionary mechanisms behind these structures. In this article we perform a complete statistical analysis over thousands of graphs…

Molecular Networks · Quantitative Biology 2019-08-29 D. Gamermann , J. Triana , R. Jaime

Protein-protein interaction (PPI) network alignment is a canonical operation to transfer biological knowledge among species. The alignment of PPI-networks has many applications, such as the prediction of protein function, detection of…

Molecular Networks · Quantitative Biology 2019-05-15 Ehsan Kazemi , Matthias Grossglauser

Numerous cellular functions rely on protein$\unicode{x2013}$protein interactions. Efforts to comprehensively characterize them remain challenged however by the diversity of molecular recognition mechanisms employed within the proteome. Deep…

Biomolecules · Quantitative Biology 2023-12-08 Julia R. Rogers , Gergő Nikolényi , Mohammed AlQuraishi

Network theorists have developed methods to characterize the complex interactions in natural phenomena. The structure of the network of interactions between proteins is important in the field of proteomics, and has been subject to intensive…

Molecular Networks · Quantitative Biology 2016-09-07 Allan A. Zea , Antonio Rueda-Toicen

Knowing the location of a protein within the cell is important for understanding its function, role in biological processes, and potential use as a drug target. Much progress has been made in developing computational methods that predict…

Quantitative Methods · Quantitative Biology 2013-08-02 Ramanuja Simha , Hagit Shatkay

The structure and function of a protein are determined by its amino acid sequence. While random mutations change a protein's sequence, evolutionary forces shape its structural fold and biological activity. Studies have shown that neutral…

Biomolecules · Quantitative Biology 2024-11-15 Pranav Kantroo , Günter P. Wagner , Benjamin B. Machta

An approach that combines Self-Organizing maps, hierarchical clustering and network components is presented, aimed at comparing protein conformational ensembles obtained from multiple Molecular Dynamic simulations. As a first result the…

Computational Engineering, Finance, and Science · Computer Science 2013-10-01 Domenico Fraccalvieri , Laura Bonati , Fabio Stella

Rapid progress in deep learning has spurred its application to bioinformatics problems including protein structure prediction and design. In classic machine learning problems like computer vision, progress has been driven by standardized…

Biomolecules · Quantitative Biology 2019-02-04 Mohammed AlQuraishi

We consider multi-chain protein native structures and propose a criterion that determines whether two chains in the system are entangled or not. The criterion is based on the behavior observed by pulling at both temini of each chain…

Biomolecules · Quantitative Biology 2017-07-19 Yani Zhao , Mateusz Chwastyk , Marek Cieplak

Summary: Most cellular tasks are performed not by individual proteins, but by groups of functionally associated proteins, often referred to as modules. In a protein assocation network modules appear as groups of densely interconnected…

Molecular Networks · Quantitative Biology 2007-05-23 Balazs Adamcsek , Gergely Palla , Illes J. Farkas , Imre Derenyi , Tamas Vicsek

Mapping between sequence and structure is currently an open problem in structural biology. Despite many experimental and computational efforts it is not clear yet how the structure is encoded in the sequence. Answering this question may…

Biomolecules · Quantitative Biology 2013-10-08 Iddo Friedberg

Two processes can influence the evolution of protein interaction networks: addition and elimination of interactions between proteins, and gene duplications increasing the number of proteins and interactions. The rates of these processes can…

Statistical Mechanics · Physics 2007-05-23 A. Wagner

Biology stores information and computes at the molecular scale, yet the ways in which it does so are often distinct from human-engineered computers. Mapping biological computation onto architectures familiar to computer science remains an…

Biological Physics · Physics 2026-03-31 Jan Kocka , Kabir Husain , Jaime Agudo-Canalejo

Cluster-based descriptions of biological networks have received much attention in recent years fostered by accumulated evidence of the existence of meaningful correlations between topological network clusters and biological functional…

Molecular Networks · Quantitative Biology 2015-08-19 Ariel Berenstein , Janet Piñero , Laura Ines Furlong , Ariel Chernomoretz

Predicting protein-protein interactions (PPIs) by learning informative representations from amino acid sequences is a challenging yet important problem in biology. Although various deep learning models in Siamese architecture have been…

Machine Learning · Computer Science 2020-10-19 Kishan KC , Feng Cui , Anne Haake , Rui Li

Protein dynamics form a critical bridge between protein structure and function, yet the impact of evolution on ultrafast processes inside proteins remains enigmatic. This study delves deep into nanosecond-scale protein dynamics of a…

Biological Physics · Physics 2023-09-13 Philipp J. Heckmeier , Jeannette Ruf , Charlotte Rochereau , Peter Hamm

Many protein-protein interaction (PPI) networks take place in the fluid yet structured plasma membrane. Lipid domains, sometimes termed rafts, have been implicated in the functioning of various membrane-bound signaling processes. Here, we…

Biological Physics · Physics 2025-11-03 Taylor Schaffner , Benjamin B. Machta

Interactions are ubiquitous across biological systems. These interactions can be abstracted as patterns of connections among distinct units such as genes, proteins, individual organisms, or species which form a hierarchy of biological…

Populations and Evolution · Quantitative Biology 2018-09-18 Pierre-Olivier Montiglio , Kiyoko M. Gotanda , Claudius F. Kratochwil , Kate L. Laskowski , Carey D. Nadell , Damien R. Farine
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