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A community effort in SARS-CoV-2 drug discovery.
Mol Inform. 2024 Jan;43(1):e202300262. doi: 10.1002/minf.202300262. Epub 2023 Nov 14.
Mol Inform. 2024.
PMID: 37833243
Free article.
Active Learning Guided Drug Design Lead Optimization Based on Relative Binding Free Energy Modeling.
Gusev F, Gutkin E, Kurnikova MG, Isayev O.
Gusev F, et al.
J Chem Inf Model. 2023 Jan 23;63(2):583-594. doi: 10.1021/acs.jcim.2c01052. Epub 2023 Jan 4.
J Chem Inf Model. 2023.
PMID: 36599125
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