Artificial intelligence technologies for COVID-19 de novo drug design
The recent covid crisis has provided important lessons for academia and industry regarding
digital reorganization. Among the fascinating lessons from these times is the huge potential …
digital reorganization. Among the fascinating lessons from these times is the huge potential …
Methodology-centered review of molecular modeling, simulation, and prediction of SARS-CoV-2
Despite tremendous efforts in the past two years, our understanding of severe acute
respiratory syndrome coronavirus 2 (SARS-CoV-2), virus–host interactions, immune …
respiratory syndrome coronavirus 2 (SARS-CoV-2), virus–host interactions, immune …
Bio-activity prediction of drug candidate compounds targeting SARS-Cov-2 using machine learning approaches
The SARS-CoV-2 3CLpro protein is one of the key therapeutic targets of interest for COVID-
19 due to its critical role in viral replication, various high-quality protein crystal structures …
19 due to its critical role in viral replication, various high-quality protein crystal structures …
Pre‐exascale HPC approaches for molecular dynamics simulations. Covid‐19 research: A use case
Exascale computing has been a dream for ages and is close to becoming a reality that will
impact how molecular simulations are being performed, as well as the quantity and quality of …
impact how molecular simulations are being performed, as well as the quantity and quality of …
Prediction of recurrent mutations in SARS-CoV-2 using artificial neural networks
B Saldivar-Espinoza, G Macip… - International Journal of …, 2022 - mdpi.com
Predicting SARS-CoV-2 mutations is difficult, but predicting recurrent mutations driven by the
host, such as those caused by host deaminases, is feasible. We used machine learning to …
host, such as those caused by host deaminases, is feasible. We used machine learning to …
Developing a SARS-CoV-2 main protease binding prediction random forest model for drug repurposing for COVID-19 treatment
The coronavirus disease 2019 (COVID-19) global pandemic resulted in millions of people
becoming infected with the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) …
becoming infected with the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) …
[HTML][HTML] Utilising Artificial Intelligence to Predict Membrane Behaviour in Water Purification and Desalination
Water scarcity is a critical global issue, necessitating efficient water purification and
desalination methods. Membrane separation methods are environmentally friendly and …
desalination methods. Membrane separation methods are environmentally friendly and …
Recent trends and perspectives of artificial intelligence-based machine learning from discovery to manufacturing in biopharmaceutical industry
Background Machine learning (ML) tools have become invaluable in potential drug
candidate screening, formulation development, manufacturing, and characterization of …
candidate screening, formulation development, manufacturing, and characterization of …
Machine learning first response to COVID-19: A systematic literature review of clinical decision assistance approaches during pandemic years from 2020 to 2022
G Badiola-Zabala, JM Lopez-Guede, J Estevez… - Electronics, 2024 - mdpi.com
Background: The declaration of the COVID-19 pandemic triggered global efforts to control
and manage the virus impact. Scientists and researchers have been strongly involved in …
and manage the virus impact. Scientists and researchers have been strongly involved in …
EBOLApred: A machine learning-based web application for predicting cell entry inhibitors of the Ebola virus
J Adams, K Agyenkwa-Mawuli, O Agyapong… - … Biology and Chemistry, 2022 - Elsevier
Ebola virus disease (EVD) is a highly virulent and often lethal illness that affects humans
through contact with the body fluid of infected persons. Glycoprotein and matrix protein VP40 …
through contact with the body fluid of infected persons. Glycoprotein and matrix protein VP40 …