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AlphaFold accelerates artificial intelligence powered drug discovery: efficient discovery of a novel CDK20 small molecule inhibitor.
Ren F, Ding X, Zheng M, Korzinkin M, Cai X, Zhu W, Mantsyzov A, Aliper A, Aladinskiy V, Cao Z, Kong S, Long X, Man Liu BH, Liu Y, Naumov V, Shneyderman A, Ozerov IV, Wang J, Pun FW, Polykovskiy DA, Sun C, Levitt M, Aspuru-Guzik A, Zhavoronkov A. Ren F, et al. Among authors: cai x. Chem Sci. 2023 Jan 10;14(6):1443-1452. doi: 10.1039/d2sc05709c. eCollection 2023 Feb 8. Chem Sci. 2023. PMID: 36794205 Free PMC article.
Novel complex crystal structure of prolyl hydroxylase domain-containing protein 2 (PHD2): 2,8-Diazaspiro[4.5]decan-1-ones as potent, orally bioavailable PHD2 inhibitors.
Deng G, Zhao B, Ma Y, Xu Q, Wang H, Yang L, Zhang Q, Guo TB, Zhang W, Jiao Y, Cai X, Zhang J, Liu H, Guan X, Lu H, Xiang J, Elliott JD, Lin X, Ren F. Deng G, et al. Among authors: cai x. Bioorg Med Chem. 2013 Nov 1;21(21):6349-58. doi: 10.1016/j.bmc.2013.08.046. Epub 2013 Sep 3. Bioorg Med Chem. 2013. PMID: 24055079
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