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Hit Expansion of a Noncovalent SARS-CoV-2 Main Protease Inhibitor.
Glaser J, Sedova A, Galanie S, Kneller DW, Davidson RB, Maradzike E, Del Galdo S, Labbé A, Hsu DJ, Agarwal R, Bykov D, Tharrington A, Parks JM, Smith DMA, Daidone I, Coates L, Kovalevsky A, Smith JC. Glaser J, et al. Among authors: sedova a. ACS Pharmacol Transl Sci. 2022 Apr 4;5(4):255-265. doi: 10.1021/acsptsci.2c00026. eCollection 2022 Apr 8. ACS Pharmacol Transl Sci. 2022. PMID: 35434531 Free PMC article.
Predicted structural proteome of Sphagnum divinum and proteome-scale annotation.
Davidson RB, Coletti M, Gao M, Piatkowski B, Sreedasyam A, Quadir F, Weston DJ, Schmutz J, Cheng J, Skolnick J, Parks JM, Sedova A. Davidson RB, et al. Among authors: sedova a. Bioinformatics. 2023 Aug 1;39(8):btad511. doi: 10.1093/bioinformatics/btad511. Bioinformatics. 2023. PMID: 37589594 Free PMC article.
SARS-CoV2 billion-compound docking.
Rogers DM, Agarwal R, Vermaas JV, Smith MD, Rajeshwar RT, Cooper C, Sedova A, Boehm S, Baker M, Glaser J, Smith JC. Rogers DM, et al. Among authors: sedova a. Sci Data. 2023 Mar 28;10(1):173. doi: 10.1038/s41597-023-01984-9. Sci Data. 2023. PMID: 36977690 Free PMC article.
High-Performance Deep Learning Toolbox for Genome-Scale Prediction of Protein Structure and Function.
Gao M, Lund-Andersen P, Morehead A, Mahmud S, Chen C, Chen X, Giri N, Roy RS, Quadir F, Effler TC, Prout R, Abraham S, Elwasif W, Haas NQ, Skolnick J, Cheng J, Sedova A. Gao M, et al. Among authors: sedova a. Workshop Mach Learn HPC Environ. 2021 Nov;2021:46-57. doi: 10.1109/mlhpc54614.2021.00010. Epub 2021 Dec 27. Workshop Mach Learn HPC Environ. 2021. PMID: 35112110 Free PMC article.
76 results