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Several models have been developed to predict how the COVID-19 pandemic spreads, and how it could be contained with non-pharmaceutical interventions (NPIs) such as social distancing restrictions and school and business closures. This paper…

Neural and Evolutionary Computing · Computer Science 2020-08-04 Risto Miikkulainen , Olivier Francon , Elliot Meyerson , Xin Qiu , Elisa Canzani , Babak Hodjat

Antibodies are versatile proteins that can bind to pathogens and provide effective protection for human body. Recently, deep learning-based computational antibody design has attracted popular attention since it automatically mines the…

Biomolecules · Quantitative Biology 2022-11-18 Kaiyuan Gao , Lijun Wu , Jinhua Zhu , Tianbo Peng , Yingce Xia , Liang He , Shufang Xie , Tao Qin , Haiguang Liu , Kun He , Tie-Yan Liu

In this work, we developed a deep learning model-based approach to forecast the spreading trend of SARS-CoV-2 in the United States. We implemented the designed model using the United States to confirm cases and state demographic data and…

Computers and Society · Computer Science 2020-08-14 Tong Yang , Long Sha , Justin Li , Pengyu Hong

Drug repurposing can accelerate the identification of effective compounds for clinical use against SARS-CoV-2, with the advantage of pre-existing clinical safety data and an established supply chain. RNA viruses such as SARS-CoV-2…

De novo drug design is a pivotal issue in pharmacology and a new area of focus in AI for science research. A central challenge in this field is to generate molecules with specific properties while also producing a wide range of diverse…

Biomolecules · Quantitative Biology 2024-01-15 Xiuyuan Hu , Guoqing Liu , Yang Zhao , Hao Zhang

More infectious virus variants can arise from rapid mutations in their proteins, creating new infection waves. These variants can evade one's immune system and infect vaccinated individuals, lowering vaccine efficacy. Hence, to improve…

Machine Learning · Computer Science 2022-05-31 Glenda Tan Hui En , Koay Tze Erhn , Shen Bingquan

Cis-regulatory elements (CREs), such as promoters and enhancers, are relatively short DNA sequences that directly regulate gene expression. The fitness of CREs, measured by their ability to modulate gene expression, highly depends on the…

Machine Learning · Computer Science 2025-03-12 Zhao Yang , Bing Su , Chuan Cao , Ji-Rong Wen

SARS-COV-2 is a positive single-strand RNA-based macromolecule that has caused the death of more than 6.3 million people since June 2022. Moreover, by disturbing global supply chains through lockdown, the virus has indirectly caused…

Biomolecules · Quantitative Biology 2022-11-01 Imra Aqeel , Abdul Majid

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

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

Protein sequence design, determined by amino acid sequences, are essential to protein engineering problems in drug discovery. Prior approaches have resorted to evolutionary strategies or Monte-Carlo methods for protein design, but often…

We study the problem of experiment design to learn causal structures from interventional data. We consider an active learning setting in which the experimenter decides to intervene on one of the variables in the system in each step and uses…

Artificial Intelligence · Computer Science 2020-09-09 Amir Amirinezhad , Saber Salehkaleybar , Matin Hashemi

The lack of recommended drugs or vaccines to deal with the COVID-19 is the main concern of this pandemic. The approved drugs for similar health problems, drugs under clinical trials, and molecules from medicinal plants extracts are…

Quantitative Methods · Quantitative Biology 2020-07-30 Seshu Vardhan , Suban K Sahoo

We investigate connectivity properties of the SARS-CoV2 spike protein-human ACE2-receptor complex employing a protein side chain-based network method that allows us to span a range from atomic to global protein scales. We analyze network…

Coronavirus disease 2019 (COVID-19) is an ongoing global pandemic in over 200 countries and territories, which has resulted in a great public health concern across the international community. Analysis of X-ray imaging data can play a…

Image and Video Processing · Electrical Eng. & Systems 2021-04-02 Lucy Nwosu , Xiangfang Li , Lijun Qian , Seungchan Kim , Xishuang Dong

Network theory-based approaches provide valuable insights into the variations in global structural connectivity between differing dynamical states of proteins. Our objective is to review network-based analyses to elucidate such variations,…

A prompt severity assessment model of patients confirmed for having infectious diseases could enable efficient diagnosis while alleviating burden on the medical system. This study aims to develop a SARS-CoV-2 severity assessment model and…

Machine Learning · Computer Science 2022-02-18 Min Sue Park , Hyeontae Jo , Haeun Lee , Se Young Jung , Hyung Ju Hwang

The protein design problem involves finding polypeptide sequences folding into a given threedimensional structure. Its rigorous algorithmic solution is computationally demanding, involving a nested search in sequence and structure spaces.…

Quantum Physics · Physics 2024-07-11 Veronica Panizza , Philipp Hauke , Cristian Micheletti , Pietro Faccioli

Until now, Coronavirus SARS-CoV-2 has caused more than 850,000 deaths and infected more than 27 million individuals in over 120 countries. Besides principal polymerase chain reaction (PCR) tests, automatically identifying positive samples…

Image and Video Processing · Electrical Eng. & Systems 2020-12-02 Duy M. H. Nguyen , Duy M. Nguyen , Huong Vu , Binh T. Nguyen , Fabrizio Nunnari , Daniel Sonntag

The unprecedented outbreak of Severe Acute Respiratory Syndrome Coronavirus-2 (SARS-CoV-2), or COVID-19, continues to be a significant worldwide problem. As a result, a surge of new COVID-19 related research has followed suit. The growing…

Machine Learning · Computer Science 2021-07-21 Maksim E. Eren , Nick Solovyev , Chris Hamer , Renee McDonald , Boian S. Alexandrov , Charles Nicholas