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Protein-protein interactions (PPIs) are crucial in regulating numerous cellular functions, including signal transduction, transportation, and immune defense. As the accuracy of multi-chain protein complex structure prediction improves, the…

Biomolecules · Quantitative Biology 2024-02-07 Chenqing Hua , Connor Coley , Guy Wolf , Doina Precup , Shuangjia Zheng

Heparin has been found to have antiviral activity against SARS-CoV-2. Here, by means of sliding window docking, molecular dynamics simulations and biochemical assays, we investigate the binding mode of heparin to the virus spike…

Biomolecules · Quantitative Biology 2021-07-27 Giulia Paiardi , Stefan Richter , Pasqua Oreste , Chiara Urbinati , Marco Rusnati , Rebecca C. Wade

In this work, we propose a novel centrality metric, referred to as star centrality, which incorporates information from the closed neighborhood of a node, rather than solely from the node itself, when calculating its topological importance.…

Quantitative Methods · Quantitative Biology 2018-03-15 Chrysafis Vogiatzis , Mustafa Can Camur

Currently, the world seeks to find appropriate mitigation techniques to control and prevent the spread of the new SARS-CoV-2. In our paper herein, we present a peculiar Multi-Task Learning framework that jointly predicts the effect of…

Machine Learning · Computer Science 2021-08-24 Bonaventure Chidube Molokwu , Shaon Bhatta Shuvo , Ziad Kobti , Anne Snowdon

This paper presents a federated learning (FL) approach to train an AI model for SARS-Cov-2 variant classification. We analyze the SARS-CoV-2 spike sequences in a distributed way, without data sharing, to detect different variants of this…

Machine Learning · Computer Science 2023-11-10 Prakash Chourasia , Taslim Murad , Zahra Tayebi , Sarwan Ali , Imdad Ullah Khan , Murray Patterson

The capacity to identify and analyze protein-protein interactions, along with their internal modular organization, plays a crucial role in comprehending the intricate mechanisms underlying biological processes at the molecular level. We can…

Molecular Networks · Quantitative Biology 2023-08-11 Mamata Das , Selvakumar K. , P. J. A. Alphonse

Because of its relevance to everyday life, the spreading of viral infections has been of central interest in a variety of scientific communities involved in fighting, preventing and theoretically interpreting epidemic processes. Recent…

Besides mimicking bio-chemical and multi-scale communication mechanisms, molecular communication forms a theoretical framework for virus infection processes. Towards this goal, aerosol and droplet transmission has recently been modeled as a…

Information Theory · Computer Science 2021-01-29 Peter Adam Hoeher , Martin Damrath , Sunasheer Bhattacharjee , Max Schurwanz

Successive whole genome duplications have recently been firmly established in all major eukaryote kingdoms. It is not clear, however, how such dramatic evolutionary process has contributed to shape the large scale topology of…

Molecular Networks · Quantitative Biology 2007-05-23 K. Evlampiev , H. Isambert

Non-pharmaceutical interventions (NPIs) such as quarantine, self-isolation, social distancing, and virus-contact tracing can greatly reduce the spread of the virus during a pandemic. In the wave of the COVID-19 pandemic, many countries have…

Physics and Society · Physics 2020-12-16 Jingjing He , Xuefei Guan , Xiaochang Duan , Tian Shen , Jing Lin

The COVID-19 pandemic caused by the Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2) has spurred unprecedented and concerted worldwide research to curtail and eradicate this pathogen. SARS-CoV-2 has four structural proteins:…

Biological Physics · Physics 2022-09-26 Siyu Li , Roya Zandi

Individual contributions to the spread of an epidemic vary widely due to an individual's location in a social network and their intrinsic ability to spread or contract diseases. While the effect of heterogeneous population structure and…

Populations and Evolution · Quantitative Biology 2026-05-14 Abhay Gupta , Nicholas W. Landry

A molecule of dimension 125nm has caused around 479 Million human infections (80M for the USA) & 6.1 Million human deaths (977,000 for the USA) worldwide and slashed the global economy by US$ 8.5 Trillion over two years. The only other…

Biomolecules · Quantitative Biology 2022-06-29 Jatin Kashyap , Dibakar Datta

We estimate the reduction in transmission of SARS-CoV-2 achievable by surveillance testing of a susceptible population at different frequencies, comparing the cases of both the original Wuhan strain and the Delta variant. We estimate the…

Physics and Society · Physics 2021-10-04 Ahmed Elbanna , Nigel Goldenfeld

The alignment of protein-protein interaction (PPI) networks has many applications, such as the detection of conserved biological network motifs, the prediction of protein interactions, and the reconstruction of phylogenetic trees [1, 2, 3].…

Molecular Networks · Quantitative Biology 2018-02-22 Ehsan Kazemi , Matthias Grossglauser

Understanding the impact of different social interactions is key to improving epidemic models. Here, we use extensive registry data -- including PCR test results and population-level networks -- to investigate the impact of school, family,…

Social and Information Networks · Computer Science 2025-01-08 Javier Garcia-Bernardo , Christine Hedde-von Westernhagen , Tom Emery , Albert Jan van Hoek

The SARS-CoV-2 coronavirus is the cause of the COVID-19 disease in humans. Like many coronaviruses, it can adapt to different hosts and evolve into different lineages. It is well-known that the major SARS-CoV-2 lineages are characterized by…

Machine Learning · Computer Science 2022-11-23 Sarwan Ali

Countries around the world implement nonpharmaceutical interventions (NPIs) to mitigate the spread of COVID-19. Design of efficient NPIs requires identification of the structure of the disease transmission network. We here identify the key…

Populations and Evolution · Quantitative Biology 2021-05-18 Simon Syga , Diana David-Rus , Yannik Schälte , Michael Meyer-Hermann , Haralampos Hatzikirou , Andreas Deutsch

We revisit well-established concepts of epidemiology, the Ising-model, and percolation theory. Also, we employ a spin $S$ = 1/2 Ising-like model and a (logistic) Fermi-Dirac-like function to describe the spread of Covid-19. Our analysis…

Populations and Evolution · Quantitative Biology 2021-04-28 Isys F. Mello , Lucas Squillante , Gabriel O. Gomes , Antonio C. Seridonio , M. de Souza

The current SARS-CoV-2 pandemic is a harsh reminder of the fact that, whether in a single human host or a wave of infection across continents, viral dynamics is often a story about the numbers. In this snapshot, our aim is to provide a…

Other Quantitative Biology · Quantitative Biology 2020-04-01 Yinon M. Bar-On , Avi I. Flamholz , Rob Phillips , Ron Milo
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