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Synthon-based ligand discovery in virtual libraries of over 11 billion compounds.
Sadybekov AA, Sadybekov AV, Liu Y, Iliopoulos-Tsoutsouvas C, Huang XP, Pickett J, Houser B, Patel N, Tran NK, Tong F, Zvonok N, Jain MK, Savych O, Radchenko DS, Nikas SP, Petasis NA, Moroz YS, Roth BL, Makriyannis A, Katritch V. Sadybekov AA, et al. Nature. 2022 Jan;601(7893):452-459. doi: 10.1038/s41586-021-04220-9. Epub 2021 Dec 15. Nature. 2022. PMID: 34912117 Free PMC article.
Rewriting the Story of Excimer Formation in Liquid Benzene.
Iyer ES, Sadybekov A, Lioubashevski O, Krylov AI, Ruhman S. Iyer ES, et al. J Phys Chem A. 2017 Mar 9;121(9):1962-1975. doi: 10.1021/acs.jpca.7b01070. Epub 2017 Feb 27. J Phys Chem A. 2017. PMID: 28182435