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Computational drug design based on artificial intelligence is an emerging research area. At the time of writing this paper, the world suffers from an outbreak of the coronavirus SARS-CoV-2. A promising way to stop the virus replication is…

神经与进化计算 · 计算机科学 2020-09-11 Tim Cofala , Lars Elend , Philip Mirbach , Jonas Prellberg , Thomas Teusch , Oliver Kramer

Coronavirus disease 2019 (COVID-19) has impacted almost every part of human life worldwide, posing a massive threat to human health. There is no specific drug for COVID-19, highlighting the urgent need for the development of effective…

基因组学 · 定量生物学 2020-12-07 Zhihan Wang , Kai Guo , Pan Gao , Qinqin Pu , Min Wu , Changlong Li , Junguk Hur

Drug development is time-consuming and expensive. Repurposing existing drugs for new therapies is an attractive solution that accelerates drug development at reduced experimental costs, specifically for Coronavirus Disease 2019 (COVID-19),…

生物大分子 · 定量生物学 2022-02-11 Xiaoqin Pan , Xuan Lin , Dongsheng Cao , Xiangxiang Zeng , Philip S. Yu , Lifang He , Ruth Nussinov , Feixiong Cheng

Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is the strain of coronavirus that causes coronavirus disease 2019 (COVID-19), the respiratory illness responsible for the COVID-19 pandemic. Currently there is no known vaccine or…

生物大分子 · 定量生物学 2020-06-29 Emilio Angelina , Sebastian Andujar , Oscar Parravicini , Daniel Enriz , Nelida Peruchena

Under the global health emergency caused by coronavirus disease 2019 (COVID-19), efficient and specific therapies are urgently needed. Compared with traditional small-molecular drugs, antibody therapies are relatively easy to develop and as…

生物大分子 · 定量生物学 2020-06-19 Jiahui Chen , Kaifu Gao , Rui Wang , Duc Duy Nguyen , Guo-Wei Wei

SARS-CoV-2 is an upper respiratory system RNA virus that has caused over 3 million deaths and infecting over 150 million worldwide as of May 2021. With thousands of strains sequenced to date, SARS-CoV-2 mutations pose significant challenges…

定量方法 · 定量生物学 2021-11-15 Yanyi Ding , Zhiyi Kuang , Yuxin Pei , Jeff Tan , Ziyu Zhang , Joseph Konan

Diagnosis of COVID-19 is necessary to prevent and control the disease. Deep learning methods have been considered a fast and accurate method. In this paper, by the parallel combination of three well-known pre-trained networks, we attempted…

图像与视频处理 · 电气工程与系统科学 2022-08-17 Faezeh Amouzegar , Hamid Mirvaziri , Mostafa Ghazizadeh-Ahsaee , Mahdi Shariatzadeh

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…

定量方法 · 定量生物学 2022-07-18 Aaron Wang , Feng Li , Samantha Chiang , Jennifer Fulcher , Otto Yang , David Wong , Fang Wei

Amid the pandemic of 2019 novel coronavirus disease (COVID-19) infected by SARS-CoV-2, a vast amount of drug research for prevention and treatment has been quickly conducted, but these efforts have been unsuccessful thus far. Our objective…

定量方法 · 定量生物学 2022-02-03 Kanglin Hsieh , Yinyin Wang , Luyao Chen , Zhongming Zhao , Sean Savitz , Xiaoqian Jiang , Jing Tang , Yejin Kim

In this work, we propose MEDICO, a Multi-viEw Deep generative model for molecule generation, structural optimization, and the SARS-CoV-2 Inhibitor disCOvery. To the best of our knowledge, MEDICO is the first-of-this-kind graph generative…

机器学习 · 计算机科学 2022-12-06 Chao Pang , Yu Wang , Yi Jiang , Ruheng Wang , Ran Su , Leyi Wei

Severe acute respiratory syndrome coronavirus two (SARS-CoV-2), the virus responsible for the coronavirus disease 2019 (COVID-19) pandemic, represents an unprecedented global health challenge. Consequently, a large amount of research into…

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…

图像与视频处理 · 电气工程与系统科学 2020-12-02 Duy M. H. Nguyen , Duy M. Nguyen , Huong Vu , Binh T. Nguyen , Fabrizio Nunnari , Daniel Sonntag

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…

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…

计算机与社会 · 计算机科学 2020-08-14 Tong Yang , Long Sha , Justin Li , Pengyu Hong

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…

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…

生物大分子 · 定量生物学 2024-06-25 Imra Aqeel , Abdul Majid

More than 198 million cases of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has been reported that result in no fewer than 4.2 million deaths globally. The rapid spread of the disease coupled with the lack of specific…

生物大分子 · 定量生物学 2021-09-01 Ibrahim Mohammed

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…

机器学习 · 计算机科学 2021-08-24 Bonaventure Chidube Molokwu , Shaon Bhatta Shuvo , Ziad Kobti , Anne Snowdon

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…

基因组学 · 定量生物学 2020-05-06 Francesco Napolitano , Gennaro Gambardella , Diego Carrella , Xin Gao , Diego di Bernardo

We examine a pair of graph generative models for the therapeutic design of novel drug candidates targeting SARS-CoV-2 viral proteins. Due to a sense of urgency, we chose well-validated models with unique strengths: an autoencoder that…

生物大分子 · 定量生物学 2021-05-24 Jenna Bilbrey , Logan Ward , Sutanay Choudhury , Neeraj Kumar , Ganesh Sivaraman