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Preliminary epidemiologic, phylogenetic and clinical findings suggest that several novel severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) variants have increased transmissibility and decreased efficacy of several existing…

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…

Biomolecules · Quantitative Biology 2021-05-24 Jenna Bilbrey , Logan Ward , Sutanay Choudhury , Neeraj Kumar , Ganesh Sivaraman

The coronavirus disease 2019 (COVID-19) pandemic caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has infected near 5 million people and led to over 0.3 million deaths. Currently, there is no specific anti-SARS-CoV-2…

Biomolecules · Quantitative Biology 2020-05-21 Kaifu Gao , Duc Duy Nguyen , Jiahui Chen , Rui Wang , Guo-Wei Wei

Human metapneumovirus (hMPV) poses serious risks to pediatric, elderly, and immunocompromised populations. Traditional antibody discovery pipelines require 10-12 months, limiting their applicability for rapid outbreak response. This project…

Quantitative Methods · Quantitative Biology 2025-09-01 Shawnak Shivakumar , Matthew Sandora

Novel deep learning architectures are increasingly being applied to biological data, including genetic sequences. These models, referred to as genomic language models (gLMs), have demonstrated impressive predictive and generative…

Machine Learning · Computer Science 2026-03-24 James R. M. Black , Moritz S. Hanke , Aaron Maiwald , Tina Hernandez-Boussard , Oliver M. Crook , Jaspreet Pannu

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

Large language models (LLMs) have significantly advanced protein representation learning. However, their capacity to interpret and design antibodies through natural language remains limited. To address this challenge, we present…

Quantitative Methods · Quantitative Biology 2026-05-21 Ling Luo , Wenbin Jiang , Hongyuan Chang , Xinkang Wang , Xushi Zhang , Yueting Xiong , Mengsha Tong , Rongshan Yu

The COVID-19 pandemic demands assimilation of all available biomedical knowledge to decode its mechanisms of pathogenicity and transmission. Despite the recent renaissance in unsupervised neural networks for decoding unstructured natural…

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

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

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…

Predicting the binding free energy between antibodies and antigens is a key challenge in structure-aware biomolecular modeling, with direct implications for antibody design. Most existing methods either rely solely on sequence embeddings or…

Biomolecules · Quantitative Biology 2025-08-28 Ciyuan Yu , Hongzong Li , Jiahao Ma , Shiqin Tang , Ye-Fan Hu , Jian-Dong Huang

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

Spike (S) glycoproteins mediate the coronavirus entry into the host cell. The S1 subunit of S-proteins contains the receptor-binding domain (RBD) that is able to recognize different host receptors, highlighting its remarkable capacity to…

Biomolecules · Quantitative Biology 2020-12-23 Patrícia P. D. Carvalho , Nelson A. Alves

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…

In this study, we investigated the inhibition of SARS-CoV-2 spike glycoprotein with HIV drugs and their combinations. This glycoprotein is essential for the reproduction of the SARS-COV-2 virus, so its inhibition opens new avenues for the…

The novel coronavirus (SARS-CoV-2) has led to a pandemic. The current testing regime based on Reverse Transcription-Polymerase Chain Reaction for SARS-CoV-2 has been unable to keep up with testing demands, and also suffers from a relatively…

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

Pattern detection and string matching are fundamental problems in computer science and the accelerated expansion of bioinformatics and computational biology have made them a core topic for both disciplines. The SARS-CoV-2 pandemic has made…

Genomics · Quantitative Biology 2025-05-14 Konstantinos Xylogiannopoulos

SARS-CoV-2 coronavirus infection is mediated by the binding of its spike protein to the angiotensin-converting enzyme 2 (ACE2), which plays a pivotal role in the renin-angiotensin system (RAS). The study of RAS dysregulation due to…

Molecular Networks · Quantitative Biology 2020-08-04 Fabrizio Pucci , Philippe Bogaerts , Marianne Rooman
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