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The COVID-19 pandemic exposed critical gaps in our ability to predict viral emergence and trajectory. Moving beyond sequence-dependent surveillance, we introduce V-Reactor Dynamics, a physics-based framework that models host-virus…

Biological Physics · Physics 2026-02-06 Yong-Shou Chen

In this worldwide spread of SARS-CoV-2 (COVID-19) infection, it is of utmost importance to detect the disease at an early stage especially in the hot spots of this epidemic. There are more than 110 Million infected cases on the globe,…

Image and Video Processing · Electrical Eng. & Systems 2021-02-23 Sohail Iqbal , H. Fareed Ahmed , Talha Qaiser , Muhammad Imran Qureshi , Nasir Rajpoot

Antibodies are Y-shaped proteins that neutralize pathogens and constitute the core of our adaptive immune system. De novo generation of new antibodies that target specific antigens holds the key to accelerating vaccine discovery. However,…

Machine Learning · Computer Science 2023-06-05 Yogesh Verma , Markus Heinonen , Vikas Garg

SARS-CoV-2, like any other virus, continues to mutate as it spreads, according to an evolutionary process. Unlike any other virus, the number of currently available sequences of SARS-CoV-2 in public databases such as GISAID is already…

Populations and Evolution · Quantitative Biology 2021-10-13 Sarwan Ali , Tamkanat-E-Ali , Muhammad Asad Khan , Imdadullah Khan , Murray Patterson

Many factors influence biomolecules binding, and its assessment constitutes an elusive challenge in computational structural biology. In this respect, the evaluation of shape complementarity at molecular interfaces is one of the main…

Recently proposed self-supervised learning approaches have been successful for pre-training speech representation models. The utility of these learned representations has been observed empirically, but not much has been studied about the…

Computation and Language · Computer Science 2022-12-06 Ankita Pasad , Ju-Chieh Chou , Karen Livescu

The COVID-19 pandemic caused by the Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2) has spurred unprecedented and concerted worldwide research to curtail and eradicate this pathogen. SARS-CoV-2 has four structural proteins:…

Biological Physics · Physics 2022-09-26 Siyu Li , Roya Zandi

Severe acute respiratory disease SARS-CoV-2 has had a found impact on public health systems and healthcare emergency response especially with respect to making decisions on the most effective measures to be taken at any given time. As…

Machine Learning · Computer Science 2023-09-19 Charithea Stylianides , Kleanthis Malialis , Panayiotis Kolios

The current pandemic has highlighted the need for methodologies that can quickly and reliably prioritize clinically approved compounds for their potential effectiveness for SARS-CoV-2 infections. In the past decade, network medicine has…

COVID-19 (coronavirus disease 2019) pandemic caused by SARS-CoV-2 has led to a treacherous and devastating catastrophe for humanity. At the time of writing, no specific antivirus drugs or vaccines are recommended to control infection…

Machine Learning · Computer Science 2020-10-13 Ankit Pal , Malaikannan Sankarasubbu

Understanding protein sequences is vital and urgent for biology, healthcare, and medicine. Labeling approaches are expensive yet time-consuming, while the amount of unlabeled data is increasing quite faster than that of the labeled data due…

Computation and Language · Computer Science 2021-11-01 Liang He , Shizhuo Zhang , Lijun Wu , Huanhuan Xia , Fusong Ju , He Zhang , Siyuan Liu , Yingce Xia , Jianwei Zhu , Pan Deng , Bin Shao , Tao Qin , Tie-Yan Liu

In light of the continuing emergence of new SARS-CoV-2 variants and vaccines, we create a simulation framework for exploring possible infection trajectories under various scenarios. The situations of primary interest involve the interaction…

Populations and Evolution · Quantitative Biology 2022-01-10 Kory D. Johnson , Annemarie Grass , Daniel Toneian , Mathias Beiglböck , Jitka Polechová

Scientific discovery in digital health requires converting continuous physiological signals from wearable devices into clinically actionable biomarkers. We introduce CoDaS (AI Co-Data-Scientist), a multi-agent system that structures…

The identification of protein-ligand interaction plays a key role in biochemical research and drug discovery. Although deep learning has recently shown great promise in discovering new drugs, there remains a gap between deep learning-based…

Molecular Networks · Quantitative Biology 2021-08-10 Fan Hu , Lei Wang , Yishen Hu , Dongqi Wang , Weijie Wang , Jianbing Jiang , Nan Li , Peng Yin

This study aims to develop a deep learning model for predicting the binding affinity of ligands targeting the Peroxisome Proliferator-Activated Receptor (PPAR) family, using 2D molecular descriptors. A dataset of 3,764 small molecules with…

Biomolecules · Quantitative Biology 2024-12-31 La Ode Aman , Aiyi Asnawi

Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has caused an ongoing pandemic infecting 219 million people as of 10/19/21, with a 3.6% mortality rate. Natural selection can generate favorable mutations with improved fitness…

Quantitative Methods · Quantitative Biology 2021-11-04 Yingying Wu , Shusheng Xu , Shing-Tung Yau , Yi Wu

The accurate prediction of B-cell epitopes is critical for guiding vaccine development against infectious diseases, including SARS and COVID-19. This study explores the use of a deep neural network (DNN) model to predict B-cell epitopes for…

Machine Learning · Computer Science 2024-12-03 Xinyu Shi , Yixin Tao , Shih-Chi Lin

Early detection of COVID-19 is an ongoing area of research that can help with triage, monitoring and general health assessment of potential patients and may reduce operational strain on hospitals that cope with the coronavirus pandemic.…

Machine Learning · Computer Science 2022-01-11 Omid Rohanian , Samaneh Kouchaki , Andrew Soltan , Jenny Yang , Morteza Rohanian , Yang Yang , David Clifton

The world is still struggling in controlling and containing the spread of the COVID-19 pandemic caused by the SARS-CoV-2 virus. The medical conditions associated with SARS-CoV-2 infections have resulted in a surge in the number of patients…

Image and Video Processing · Electrical Eng. & Systems 2021-05-04 Hossein Aboutalebi , Maya Pavlova , Mohammad Javad Shafiee , Ali Sabri , Amer Alaref , Alexander Wong