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Page 1
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: tarkhanova oo. Mol Inform. 2024 Aug 22:e202400114. doi: 10.1002/minf.202400114. Online ahead of print. Mol Inform. 2024. PMID: 39171757
AlphaFold2 structures guide prospective ligand discovery.
Lyu J, Kapolka N, Gumpper R, Alon A, Wang L, Jain MK, Barros-Álvarez X, Sakamoto K, Kim Y, DiBerto J, Kim K, Glenn IS, Tummino TA, Huang S, Irwin JJ, Tarkhanova OO, Moroz Y, Skiniotis G, Kruse AC, Shoichet BK, Roth BL. Lyu J, et al. Among authors: tarkhanova oo. Science. 2024 Jun 21;384(6702):eadn6354. doi: 10.1126/science.adn6354. Epub 2024 Jun 21. Science. 2024. PMID: 38753765
Small vs. Large Library Docking for Positive Allosteric Modulators of the Calcium Sensing Receptor.
Liu F, Wu CG, Tu CL, Glenn I, Meyerowitz J, Levit Kaplan A, Lyu J, Cheng Z, Tarkhanova OO, Moroz YS, Irwin JJ, Chang W, Shoichet BK, Skiniotis G. Liu F, et al. Among authors: tarkhanova oo. bioRxiv [Preprint]. 2024 Mar 6:2023.12.27.573448. doi: 10.1101/2023.12.27.573448. bioRxiv. 2024. Update in: Science. 2024 Sep 20;385(6715):eado1868. doi: 10.1126/science.ado1868. PMID: 38234749 Free PMC article. Updated. Preprint.
AlphaFold2 structures template ligand discovery.
Lyu J, Kapolka N, Gumpper R, Alon A, Wang L, Jain MK, Barros-Álvarez X, Sakamoto K, Kim Y, DiBerto J, Kim K, Tummino TA, Huang S, Irwin JJ, Tarkhanova OO, Moroz Y, Skiniotis G, Kruse AC, Shoichet BK, Roth BL. Lyu J, et al. Among authors: tarkhanova oo. bioRxiv [Preprint]. 2024 Mar 13:2023.12.20.572662. doi: 10.1101/2023.12.20.572662. bioRxiv. 2024. Update in: Science. 2024 Jun 21;384(6702):eadn6354. doi: 10.1126/science.adn6354. PMID: 38187536 Free PMC article. Updated. Preprint.