Zobrazeno 1 - 2
of 2
pro vyhledávání: '"Darin Hauner"'
Publikováno v:
Scientific Reports, Vol 12, Iss 1, Pp 1-13 (2022)
Abstract Targeted covalent inhibition represents one possible strategy to block the function of SARS-CoV-2 Main Protease (MPRO), an enzyme that plays a critical role in the replication of the novel SARS-CoV-2. Toward the design of covalent inhibitors
Externí odkaz:
https://doaj.org/article/c9035288ff254735a9f7e3083171b7d8
High-Throughput Virtual Screening and Validation of a SARS-CoV-2 Main Protease Noncovalent Inhibitor
Autor:
Andre Merzky, Ryan Chard, Jurgen G. Schmidt, Zhuozhao Li, Srinivas C. Chennubhotla, Heng Ma, Li Tan, Mikhail Titov, Vlimos Kertesz, Austin Clyde, Daniel W. Kneller, Hyungro Lee, Alexander Brace, Rick Stevens, Darin Hauner, Leighton Coates, Shantenu Jha, Kyle Chard, Andrey Kovalevsky, Arvind Ramanathan, Thomas Brettin, Neeraj Kumar, Ben Blaiszik, Stephanie Galanie, Hubertus J. J. van Dam, Matteo Turilli, Martha S Head, Yadu Babuji, Ian Foster, Anda Trifan
Publikováno v:
Journal of Chemical Information and Modeling
Despite the recent availability of vaccines against the acute respiratory syndrome coronavirus 2 (SARS-CoV-2), the search for inhibitory therapeutic agents has assumed importance especially in the context of emerging new viral variants. In this paper
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::06facb652b5fb512b76a78365fedc3c8
https://doi.org/10.1021/acs.jcim.1c00851
https://doi.org/10.1021/acs.jcim.1c00851