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Antimicrobial resistance is one of the biggest health problem, especially in the current period of COVID-19 pandemic. Due to the unique membrane-destruction bactericidal mechanism, antimicrobial peptide-mimetic copolymers are paid more…

Biomolecules · Quantitative Biology 2022-12-09 Tianyu Wu , Yang Tang

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

The field of antibody-based therapeutics has grown significantly in recent years, with targeted antibodies emerging as a potentially effective approach to personalized therapies. Such therapies could be particularly beneficial for complex,…

The 2019 novel coronavirus (SARS-CoV-2) pandemic has resulted in more than a million deaths, high morbidities, and economic distress worldwide. There is an urgent need to identify medications that would treat and prevent novel diseases like…

Machine Learning · Computer Science 2020-12-04 Siddhant Doshi , Sundeep Prabhakar Chepuri

The spread of the coronavirus disease 2019 (COVID-19) caused by severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2) has become a global health crisis. The binding affinity of SARS-CoV-2 (in particular the receptor binding domain,…

Biomolecules · Quantitative Biology 2021-02-10 Hong-ming Ding , Yue-wen Yin , Song-di Ni , Yan-jing Sheng , Yu-qiang Ma

The SARS-CoV-2 pandemic has led to a significant emergence of highly mutated forms of viruses with a great ability to adapt to the human host. Some mutations resulted in changes in the amino acid sequences of viral proteins, including the…

We report a fast-track computationally-driven discovery of new SARS-CoV2 Main Protease (M$^{pro}$) inhibitors whose potency range from mM for initial non-covalent ligands to sub-$\mu$M for the final covalent compound (IC50=830 +/- 50 nM).…

The pandemic caused by the SARS-CoV-2 virus has exposed many flaws in the decision-making strategies used to distribute resources to combat global health crises. In this paper, we leverage reinforcement learning and optimization to improve…

Artificial Intelligence · Computer Science 2021-01-06 Lawrence Thul , Warren Powell

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

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 infection caused by SARS-CoV-2 pathogen is a catastrophic pandemic outbreak all over the world with exponential increasing of confirmed cases and, unfortunately, deaths. In this work we propose an AI-powered pipeline, based on the…

A new coronavirus identified as SARS-CoV-2 virus has brought the world to a state of crisis, causing a major pandemic, claiming more than 433,000 lives and instigating major financial damage to the global economy. Despite current efforts,…

Biomolecules · Quantitative Biology 2020-06-18 Mohsen Chitsaz

Applying a ML approach to the temporal variability of the Spike protein sequence enables us to identify, classify and track emerging virus variants. Our analysis is unbiased, in the sense that it does not require any prior knowledge of the…

Many multi-genic systemic diseases such as neurological disorders, inflammatory diseases, and the majority of cancers do not have effective treatments yet. Reinforcement learning powered systems pharmacology is a potentially effective…

Biomolecules · Quantitative Biology 2022-02-25 Ryan K. Tan , Yang Liu , Lei Xie

Researchers worldwide are seeking to repurpose existing drugs or discover new drugs to counter the disease caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). A promising source of candidates for such studies is…

Computation and Language · Computer Science 2021-01-13 Zhi Hong , J. Gregory Pauloski , Logan Ward , Kyle Chard , Ben Blaiszik , Ian Foster

The issue of COVID-19, increasing with a massive mortality rate. This led to the WHO declaring it as a pandemic. In this situation, it is crucial to perform efficient and fast diagnosis. The reverse transcript polymerase chain reaction…

Computer Vision and Pattern Recognition · Computer Science 2021-08-10 Lalith Bharadwaj B , Rohit Boddeda , Sai Vardhan K , Madhu G

The severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) pandemic has emphasized the importance and challenges of correctly interpreting antibody test results. Identification of positive and negative samples requires a…

Quantitative Methods · Quantitative Biology 2023-04-26 Rayanne A. Luke , Anthony J. Kearsley , Nora Pisanic , Yukari C. Manabe , David L. Thomas , Christopher D. Heaney , Paul N. Patrone

In light of the continuing emergence of new SARS-CoV-2 variants and vaccines, we create a simulation framework for exploring possible infection trajectories under various scenarios. The situations of primary interest involve the interaction…

Populations and Evolution · Quantitative Biology 2022-01-10 Kory D. Johnson , Annemarie Grass , Daniel Toneian , Mathias Beiglböck , Jitka Polechová

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

In late 2019, COVID-19, a severe respiratory disease, emerged, and since then, the world has been facing a deadly pandemic caused by it. This ongoing pandemic has had a significant effect on different aspects of societies. The uncertainty…

Neural and Evolutionary Computing · Computer Science 2021-09-28 Mahdi Rahbar , Samaneh Yazdani
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