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The SARS-CoV-2 pandemic has created a global race for a cure. One approach focuses on designing a novel variant of the human angiotensin-converting enzyme 2 (ACE2) that binds more tightly to the SARS-CoV-2 spike protein and diverts it from…

Coronavirus Disease 2019 (COVID-19) is a rapidly emerging respiratory disease caused by the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). Due to the rapid human-to-human transmission of SARS-CoV-2, many healthcare systems…

Machine Learning · Computer Science 2020-12-01 Patrick Schwab , August DuMont Schütte , Benedikt Dietz , Stefan Bauer

Coronavirus (COVID-19) outbreak in late 2019 and 2020 comprises a serious and more likely a pandemic threat worldwide. Given that the disease has not approved vaccines or drugs up to now, any efforts for drug design and or clinical trails…

Biomolecules · Quantitative Biology 2020-03-11 Mohammad Reza Dayer

COVID-19 is an infection caused by SARS-CoV-2 (Severe Acute Respiratory Syndrome coronavirus 2), which has caused a global outbreak. Current research efforts are focused on the understanding of the molecular mechanisms involved in…

SARS-CoV-2, the causative agent of the disease known as Covid-19, has so far reported around 3,435,000 cases of human infections, including more than 239,000 deaths in 187 countries, with no effective treatment currently available. For this…

SARS-CoV-2 (COVID-19), a positive single stranded RNA virus, member of corona virus family, is spreading its tentacles across the world due to lack of drugs at present. Being associated with cough, fever, and respiratory distress, this…

Biomolecules · Quantitative Biology 2020-12-15 Arun Dev Sharma , Inderjeet Kaur

Development of new drugs is an expensive and time-consuming process. Due to the world-wide SARS-CoV-2 outbreak, it is essential that new drugs for SARS-CoV-2 are developed as soon as possible. Drug repurposing techniques can reduce the time…

Machine Learning · Computer Science 2022-01-19 Shrimon Mukherjee , Madhusudan Ghosh , Partha Basuchowdhuri

COVID-19 has created a global pandemic with high morbidity and mortality in 2020. Novel coronavirus (nCoV), also known as Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV2), is responsible for this deadly disease. International…

Molecular Networks · Quantitative Biology 2020-05-11 Sovan Saha , Anup Kumar Halder , Soumyendu Sekhar Bandyopadhyay , Piyali Chatterjee , Mita Nasipuri , Subhadip Basu

With the huge spike in the COVID-19 cases across the globe and reverse transcriptase-polymerase chain reaction (RT-PCR) test remains a key component for rapid and accurate detection of severe acute respiratory syndrome coronavirus 2…

Machine Learning · Computer Science 2021-10-20 Satvik Tripathi

Emerging severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) variants have compromised existing vaccines and posed a grand challenge to coronavirus disease 2019 (COVID-19) prevention, control, and global economic recovery. For…

Biomolecules · Quantitative Biology 2022-04-21 Jiahui Chen , Guo-Wei Wei

The virus SARS-CoV-2 has created a situation of global emergency all over the world from the last few months. We are witnessing a helpless situation due to COVID-19 as no vaccine or drug is effective against the disease. In the present…

Biological Physics · Physics 2020-12-02 Pooja , Papia Chowdhury

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

The clinical spectrum of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), the strain of coronavirus that caused the COVID-19 pandemic, is broad, extending from asymptomatic infection to severe immunopulmonary reactions that, if…

Quantitative Methods · Quantitative Biology 2022-07-18 Aaron Wang , Feng Li , Samantha Chiang , Jennifer Fulcher , Otto Yang , David Wong , Fang Wei

Effective property prediction methods can help accelerate the search for COVID-19 antivirals either through accurate in-silico screens or by effectively guiding on-going at-scale experimental efforts. However, existing prediction tools have…

Quantitative Methods · Quantitative Biology 2020-05-08 Wengong Jin , Regina Barzilay , Tommi Jaakkola

The fast and untraceable virus mutations take lives of thousands of people before the immune system can produce the inhibitory antibody. Recent outbreak of novel coronavirus infected and killed thousands of people in the world. Rapid…

Biomolecules · Quantitative Biology 2020-03-20 Rishikesh Magar , Prakarsh Yadav , Amir Barati Farimani

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…

To better understand the potential of drug repurposing in COVID-19, we analyzed control strategies over essential host factors for SARS-CoV-2 infection. We constructed comprehensive directed protein-protein interaction networks integrating…

The novel Wuhan coronavirus known as SARS-CoV-2 has brought almost unprecedented effects for a non-wartime setting, hitting social, economic and health systems hard.~ Being able to bring to bear pharmaceutical interventions to counteract…

Biomolecules · Quantitative Biology 2020-05-15 Edward O. Pyzer-Knapp

Predicting the binding of viral peptides to the major histocompatibility complex with machine learning can potentially extend the computational immunology toolkit for vaccine development, and serve as a key component in the fight against a…

Quantitative Methods · Quantitative Biology 2021-04-19 Johanna Vielhaben , Markus Wenzel , Eva Weicken , Nils Strodthoff

Rapid, sensitive detection of biomolecules is important for improved testing methods for viruses as well as biomarkers and environmental hormones. For example, testing for SARS-CoV-2 is essential in the fight against the COVID-19 pandemic.…