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Improving docking and virtual screening performance using AlphaFold2 multi-state modeling for kinases.
Sci Rep. 2024 Oct 24;14(1):25167. doi: 10.1038/s41598-024-75400-6.
Sci Rep. 2024.
PMID: 39448664
Free PMC article.
Accurate prediction of protein-ligand interactions by combining physical energy functions and graph-neural networks.
Hong Y, Ha J, Sim J, Lim CJ, Oh KS, Chandrasekaran R, Kim B, Choi J, Ko J, Shin WH, Lee J.
Hong Y, et al.
J Cheminform. 2024 Nov 4;16(1):121. doi: 10.1186/s13321-024-00912-2.
J Cheminform. 2024.
PMID: 39497201
Free PMC article.
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