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De novo design and bioactivity prediction of SARS-CoV-2 main protease inhibitors using recurrent neural network-based transfer learning.
BMC Chem. 2021 Feb 2;15(1):8. doi: 10.1186/s13065-021-00737-2.
BMC Chem. 2021.
PMID: 33531083
Free PMC article.
AI-Driven Discovery of SARS-CoV-2 Main Protease Fragment-like Inhibitors with Antiviral Activity In Vitro.
Saramago LC, Santana MV, Gomes BF, Dantas RF, Senger MR, Oliveira Borges PH, Ferreira VNDS, Dos Santos Rosa A, Tucci AR, Dias Miranda M, Lukacik P, Strain-Damerell C, Owen CD, Walsh MA, Ferreira SB, Silva-Junior FP.
Saramago LC, et al.
J Chem Inf Model. 2023 May 8;63(9):2866-2880. doi: 10.1021/acs.jcim.3c00409. Epub 2023 Apr 14.
J Chem Inf Model. 2023.
PMID: 37058135
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