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The wide spread of coronavirus disease 2019 (COVID-19) has declared a global health emergency. As one of the most important targets for antibody and drug developments, Spike RBD-ACE2 interface has received extensive attention. Here, using…

Biomolecules · Quantitative Biology 2021-05-14 Yanmei Yang , Yunju Zhang , Yuanyuan Qu , Xuewei Liu , Mingwen Zhao , Yuguang Mu , Weifeng Li

Virtual screening (VS) is an essential task in drug discovery, focusing on the identification of small-molecule ligands that bind to specific protein pockets. Existing deep learning methods, from early regression models to recent…

Machine Learning · Computer Science 2025-11-11 Bowei He , Bowen Gao , Yankai Chen , Yanyan Lan , Chen Ma , Philip S. Yu , Ya-Qin Zhang , Wei-Ying Ma

Understanding the viral dynamics and immunizing antibodies of the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is crucial for devising better therapeutic and prevention strategies for COVID-19. Here, we present a Bayesian…

Applications · Statistics 2023-07-27 Tracy Q. Dong , Elizabeth R. Brown

Using representations provided by a large pre-trained model has become the primary strategy for achieving state-of-the-art results in a wide range of tasks. A recently proposed large pre-trained model, wav2vec 2.0, was seminal for several…

Computation and Language · Computer Science 2025-12-01 Jonatas Grosman , Cassio Almeida , Guilherme Schardong , Hélio Lopes

The accelerated adoption of digital pathology and advances in deep learning have enabled the development of powerful models for various pathology tasks across a diverse array of diseases and patient cohorts. However, model training is often…

Sequence-to-sequence (seq2seq) models are competitive with hybrid models for automatic speech recognition (ASR) tasks when large amounts of training data are available. However, data sparsity and domain adaptation are more problematic for…

Computation and Language · Computer Science 2021-06-16 Chak-Fai Li , Francis Keith , William Hartmann , Matthew Snover , Owen Kimball

Recent epidemiological data report that worldwide more than 53 million people have been infected by SARS-CoV-2, resulting in 1.3 million deaths. The disease has been spreading very rapidly and few months after the identification of the…

Antibodies are versatile proteins that bind to pathogens like viruses and stimulate the adaptive immune system. The specificity of antibody binding is determined by complementarity-determining regions (CDRs) at the tips of these Y-shaped…

Biomolecules · Quantitative Biology 2022-01-31 Wengong Jin , Jeremy Wohlwend , Regina Barzilay , Tommi Jaakkola

SARS-CoV-2 is colloquially known as COVID-19 that had an initial outbreak in December 2019. The deadly virus has spread across the world, taking part in the global pandemic disease since March 2020. In addition, a recent variant of…

The rapid spread of SARS-CoV-2 caused the COVID-19 pandemic and accelerated vaccine development to prevent the spread of the virus and control the disease. Given the sustained high infectivity and evolution of SARS-CoV-2, there is an…

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,…

Through the use of cutting-edge unsupervised classification techniques from statistics and machine learning, we characterise symptom phenotypes among symptomatic SARS-CoV-2 PCR-positive community cases. We first analyse each dataset in…

The Coronavirus Disease 2019 (COVID-19) pandemic has infected over 10 million people globally with a relatively high mortality rate. There are many therapeutics undergoing clinical trials, but there is no effective vaccine or therapy for…

Molecular Networks · Quantitative Biology 2020-07-01 Fuhai Li , Andrew P. Michelson , Randi Foraker , Ming Zhan , Philip R. O. Payne

Antibody therapeutics has been extensively studied in drug discovery and development within the past decades. One increasingly popular focus in the antibody discovery pipeline is the optimization step for therapeutic leads. Both traditional…

Biomolecules · Quantitative Biology 2022-08-16 Yue Kang , Dawei Leng , Jinjiang Guo , Lurong Pan

Proteins, essential to biological systems, perform functions intricately linked to their three-dimensional structures. Understanding the relationship between protein structures and their amino acid sequences remains a core challenge in…

Quantitative Methods · Quantitative Biology 2024-11-04 Liang He , Peiran Jin , Yaosen Min , Shufang Xie , Lijun Wu , Tao Qin , Xiaozhuan Liang , Kaiyuan Gao , Yuliang Jiang , Tie-Yan Liu

Cardiovascular disease (CVD) risk prediction models are essential for identifying high-risk individuals and guiding preventive actions. However, existing models struggle with the challenges of real-world clinical practice as they…

The importance of understanding SARS-CoV-2 evolution cannot be overemphasized. Recent studies confirm that natural selection is the dominating mechanism of SARS-CoV-2 evolution, which favors mutations that strengthen viral infectivity. We…

Populations and Evolution · Quantitative Biology 2021-10-12 Rui Wang , Jiahui Chen , Guo-Wei Wei

Similar to natural language models, pre-trained genome language models are proposed to capture the underlying intricacies within genomes with unsupervised sequence modeling. They have become essential tools for researchers and practitioners…

Genomics · Quantitative Biology 2024-06-04 Siyuan Li , Zedong Wang , Zicheng Liu , Di Wu , Cheng Tan , Jiangbin Zheng , Yufei Huang , Stan Z. Li

The outbreak of COVID-19 caused by SARS-CoV-2 has rapidly spread worldwide and has caused over 1,400,000 infections and 80,000 deaths. There are currently no drugs or vaccines with proven efficacy for its prevention and little knowledge was…

Genomics · Quantitative Biology 2020-04-13 Zhi Liu , Jianwei Wang , Yuyu Xu , Mengchen Guo , Kai Mi , Rui Xu , Yang Pei , Qiangkun Zhang , Xiaoting Luan , Zhibin Hu , Xingyin Liu#

Influenza A viruses (IAVs) evolve antigenically at a pace that requires frequent vaccine updates, yet the haemagglutination inhibition (HI) assays used to quantify antigenicity are labor-intensive and unscalable. As a result, genomic data…

Machine Learning · Computer Science 2025-12-08 Yanhua Xu