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Potential novel thioether-amide or guanidine-linker class of SARS-CoV-2 virus RNA-dependent RNA polymerase inhibitors identified by high-throughput virtual screening coupled to free-energy calculations [Elektronski vir]Jukič, Marko ; Janežič, Dušanka, 1952- ; Bren, UrbanSource: International journal of molecular sciences [Elektronski vir]. - ISSN 1422-0067 (Vol. 22, no. 20, 2021, 15 str.)Type of material - e-article ; adult, seriousPublish date - 2021Language - englishCOBISS.SI-ID - 81078275
Author
Jukič, Marko |
Janežič, Dušanka, 1952- |
Bren, Urban
Topics
polimeraza |
virusi |
dinamika molekul |
COVID-19 |
SARS-CoV-2 virus |
RNA-dependent RNA polymerase |
binding site identification |
virtual screening |
non-covalent inhibitors |
in silico drug design |
molecular dynamics |
free-energy calculations |
ensemble docking
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JCR | SNIP | JCR | SNIP | JCR | SNIP | JCR | SNIP |
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Database name | Field | Year |
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Links to authors' personal bibliographies | Links to information on researchers in the SICRIS system |
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Jukič, Marko | 32587 |
Janežič, Dušanka, 1952- | 06734 |
Bren, Urban | 25434 |
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