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The freedom space - a new set of commercially available molecules for hit discovery.
Protopopov MV, Tararina VV, Bonachera F, Dzyuba IM, Kapeliukha A, Hlotov S, Chuk O, Marcou G, Klimchuk O, Horvath D, Yeghyan E, Savych O, Tarkhanova OO, Varnek A, Moroz YS. Protopopov MV, et al. Among authors: kapeliukha a. Mol Inform. 2024 Aug 22:e202400114. doi: 10.1002/minf.202400114. Online ahead of print. Mol Inform. 2024. PMID: 39171757
Creation of targeted compound libraries based on 3D shape recognition.
Kyrylchuk A, Kravets I, Cherednichenko A, Tararina V, Kapeliukha A, Dudenko D, Protopopov M. Kyrylchuk A, et al. Among authors: kapeliukha a. Mol Divers. 2023 Apr;27(2):939-949. doi: 10.1007/s11030-022-10447-z. Epub 2022 May 24. Mol Divers. 2023. PMID: 35608807