Applications of density functional theory in COVID-19 drug modeling
The rapidly evolving Coronavirus 2019 (COVID-19) pandemic has led to millions of deaths
around the world, highlighting the pressing need to develop effective antiviral …
around the world, highlighting the pressing need to develop effective antiviral …
Ultralarge virtual screening identifies SARS-CoV-2 main protease inhibitors with broad-spectrum activity against coronaviruses
A Luttens, H Gullberg, E Abdurakhmanov… - Journal of the …, 2022 - ACS Publications
Drugs targeting SARS-CoV-2 could have saved millions of lives during the COVID-19
pandemic, and it is now crucial to develop inhibitors of coronavirus replication in preparation …
pandemic, and it is now crucial to develop inhibitors of coronavirus replication in preparation …
Predicting the locations of cryptic pockets from single protein structures using the PocketMiner graph neural network
Cryptic pockets expand the scope of drug discovery by enabling targeting of proteins
currently considered undruggable because they lack pockets in their ground state structures …
currently considered undruggable because they lack pockets in their ground state structures …
Structure-based approaches against COVID-19
TC Huang, KH Liang, TJ Chang, KF Hung… - Journal of the …, 2024 - journals.lww.com
Abstract The coronavirus disease 2019 (COVID-19) pandemic has had a major impact on
human life. This review highlights the versatile roles of both classical and modern structure …
human life. This review highlights the versatile roles of both classical and modern structure …
[PDF][PDF] 20 years of crystal hits: progress and promise in ultrahigh-throughput crystallization screening
Diffraction-based structural methods contribute a large fraction of the biomolecular structural
models available, providing a critical understanding of macromolecular architecture. These …
models available, providing a critical understanding of macromolecular architecture. These …
Computational anti-COVID-19 drug design: progress and challenges
J Wang, Y Zhang, W Nie, Y Luo… - Briefings in …, 2022 - academic.oup.com
Vaccines have made gratifying progress in preventing the 2019 coronavirus disease
(COVID-19) pandemic. However, the emergence of variants, especially the latest delta …
(COVID-19) pandemic. However, the emergence of variants, especially the latest delta …
Advancement of Computational Design Drug Delivery System in COVID-19: Current Updates and Future Crosstalk-A Critical Update
A Mohiuddin, S Mondal - Infectious Disorders-Drug …, 2023 - benthamdirect.com
Positive strides have been achieved in developing vaccines to combat the coronavirus-2019
infection (COVID-19) pandemic. Still, the outline of variations, particularly the most current …
infection (COVID-19) pandemic. Still, the outline of variations, particularly the most current …
[HTML][HTML] Structure determination needs to go viral
MBB e Gutierres, C Pedebos, P Bacaicoa-Caruso… - Amino Acids, 2024 - ncbi.nlm.nih.gov
Viral diseases are expected to cause new epidemics in the future, therefore, it is essential to
assess how viral diversity is represented in terms of deposited protein structures. Here, data …
assess how viral diversity is represented in terms of deposited protein structures. Here, data …
Structure determination needs to go viral
M de Bastos Balbe e Gutierres, C Pedebos… - Amino Acids, 2024 - Springer
Viral diseases are expected to cause new epidemics in the future, therefore, it is essential to
assess how viral diversity is represented in terms of deposited protein structures. Here, data …
assess how viral diversity is represented in terms of deposited protein structures. Here, data …