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Presently, India bears amongst the highest burden of non-communicable diseases such as diabetes mellitus (DM), hypertension (HT), and cardio vascular disease (CVD) and thus represents a vulnerable target to the SARS-CoV-2/COVID-19 pandemic.…

Biomolecules · Quantitative Biology 2020-04-15 Dhanashree Jagtap , Selvaa Kumar C , Smita Mahale , Vainav Patel

The discovery of novel inhibitor molecules for emerging drug-target proteins is widely acknowledged as a challenging inverse design problem: Exhaustive exploration of the vast chemical search space is impractical, especially when the target…

The COVID-19 pandemic has initiated a global health emergency, with an exigent need for effective cure. Progressively, drug repurposing is emerging a promise solution as it saves the time, cost and labor. However, the number of drug…

Biomolecules · Quantitative Biology 2024-06-25 Imra Aqeel , Abdul Majid

The availability of SARS-CoV-2 (severe acute respiratory syndrome coronavirus 2) virus data post-COVID has reached exponentially to an enormous magnitude, opening research doors to analyze its behavior. Various studies are conducted by…

Neural and Evolutionary Computing · Computer Science 2025-01-28 Taslim Murad , Prakash Chourasia , Sarwan Ali , Imdad Ullah Khan , Murray Patterson

A central challenge in Human Immunodeficiency Virus (HIV) public health policy lies in determining whether to universally expand treatment access, despite the risk of sub-optimal adherence and consequent drug resistance, or to adopt a more…

Quantitative Methods · Quantitative Biology 2025-07-16 Ashish Poonia , Siddhartha P. Chakrabarty

Drug repurposing provides an opportunity to redeploy drugs, which ideally are already approved for use in humans, for the treatment of other diseases. For example, the repurposing of dexamethasone and baricitinib has played a crucial role…

Many statistical machine approaches could ultimately highlight novel features of the etiology of complex diseases by analyzing multi-omics data. However, they are sensitive to some deviations in distribution when the observed samples are…

Machine Learning · Statistics 2022-01-14 Md Ashad Alam , Hui Shen , Hong-Wen Deng

The COVID-19 pandemic has given rise to numerous articles from different scientific fields (epidemiology, virology, immunology, airflow physics...) without any effort to link these different insights. In this review, we aim to establish…

Populations and Evolution · Quantitative Biology 2023-01-31 Florian Poydenot , Alice Lebreton , Jacques Haiech , Bruno Andreotti

SARS-CoV-2, like any other virus, continues to mutate as it spreads, according to an evolutionary process. Unlike any other virus, the number of currently available sequences of SARS-CoV-2 in public databases such as GISAID is already…

Populations and Evolution · Quantitative Biology 2021-10-13 Sarwan Ali , Tamkanat-E-Ali , Muhammad Asad Khan , Imdadullah Khan , Murray Patterson

The COVID-19 crisis called for rapid reaction from all the fields of biomedical research. Traditional drug development involves time consuming pipelines that conflict with the urgence of identifying effective therapies during a health and…

Genomics · Quantitative Biology 2020-05-06 Francesco Napolitano , Gennaro Gambardella , Diego Carrella , Xin Gao , Diego di Bernardo

Advances in sequencing have revealed that each individual carries about 10,000 missense variants. For the vast majority, we do not know what the functional consequences - if any - will be. Further, mechanistic insight, such as structural…

Biomolecules · Quantitative Biology 2025-07-24 Sven Larsen-Ledet , Aleksandra Panfilova , Amelie Stein

More than any other infectious disease epidemic, the COVID-19 pandemic has been characterized by the generation of large volumes of viral genomic data at an incredible pace due to recent advances in high-throughput sequencing technologies,…

COVID-19, since emerged in Wuhan, China, has been a major concern due to its high infection rate, leaving more than one million infected people around the world. Huge number of studies tried to reveal the structure of the SARS-CoV-2…

Biological Physics · Physics 2020-04-07 Muhamed Amin , Mariam K. Sorour , Amal Kasry

The Coronavirus Disease 2019 (COVID-19) pandemic has infected over 10 million people globally with a relatively high mortality rate. There are many therapeutics undergoing clinical trials, but there is no effective vaccine or therapy for…

Molecular Networks · Quantitative Biology 2020-07-01 Fuhai Li , Andrew P. Michelson , Randi Foraker , Ming Zhan , Philip R. O. Payne

The crisis caused by the COVID-19 outbreak around the globe raised an increasing concern about the ongoing emergence of variants of SARS-CoV-2 that may evade the immune response provided by vaccines. New variants appear due to mutation, and…

Populations and Evolution · Quantitative Biology 2022-12-14 M. Ahumada , A. Ledesma-Araujo , Leonardo Gordillo , Juan F. Marín

The rapid spread of the COVID-19 pandemic has resulted in an unprecedented amount of sequence data of the SARS-CoV-2 genome -- millions of sequences and counting. This amount of data, while being orders of magnitude beyond the capacity of…

Genomics · Quantitative Biology 2022-07-20 Sarwan Ali , Bikram Sahoo , Alexander Zelikovskiy , Pin-Yu Chen , Murray Patterson

In many biological applications, we would like to be able to computationally predict mutational effects on affinity in protein-protein interactions. However, many commonly used methods to predict these effects perform poorly in important…

Biomolecules · Quantitative Biology 2014-01-15 Austin G. Meyer , Sara L. Sawyer , Andrew D. Ellington , Claus O. Wilke

Background: Network propagation has been widely used for nearly 20 years to predict gene functions and phenotypes. Despite the popularity of this approach, little attention has been paid to the question of provenance tracing in this…

High-throughput molecular screening is required to investigate the origin and diffusion of antimicrobial resistance in pathogen outbreaks. The most frequent cause of human infection is Escherichia coli, which is dominated by sequence type…

Populations and Evolution · Quantitative Biology 2015-02-18 Tim Downing

Very large numbers of M-pox cases have, since the start of May 2022, been reported in non-endemic countries leading many to fear that the M-pox Outbreak would rapidly transition into another pandemic, while the COVID-19 pandemic ravages on.…

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