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Page 1
Systematic, computational discovery of multicomponent and one-pot reactions.
Roszak R, Gadina L, Wołos A, Makkawi A, Mikulak-Klucznik B, Bilgi Y, Molga K, Gołębiowska P, Popik O, Klucznik T, Szymkuć S, Moskal M, Baś S, Frydrych R, Mlynarski J, Vakuliuk O, Gryko DT, Grzybowski BA. Roszak R, et al. Among authors: klucznik t. Nat Commun. 2024 Nov 27;15(1):10285. doi: 10.1038/s41467-024-54611-5. Nat Commun. 2024. PMID: 39604395 Free PMC article.
Computational prediction of complex cationic rearrangement outcomes.
Klucznik T, Syntrivanis LD, Baś S, Mikulak-Klucznik B, Moskal M, Szymkuć S, Mlynarski J, Gadina L, Beker W, Burke MD, Tiefenbacher K, Grzybowski BA. Klucznik T, et al. Nature. 2024 Jan;625(7995):508-515. doi: 10.1038/s41586-023-06854-3. Epub 2023 Nov 15. Nature. 2024. PMID: 37967579 Free PMC article.
Computational planning of the synthesis of complex natural products.
Mikulak-Klucznik B, Gołębiowska P, Bayly AA, Popik O, Klucznik T, Szymkuć S, Gajewska EP, Dittwald P, Staszewska-Krajewska O, Beker W, Badowski T, Scheidt KA, Molga K, Mlynarski J, Mrksich M, Grzybowski BA. Mikulak-Klucznik B, et al. Among authors: klucznik t. Nature. 2020 Dec;588(7836):83-88. doi: 10.1038/s41586-020-2855-y. Epub 2020 Oct 13. Nature. 2020. PMID: 33049755
Concentric liquid reactors for chemical synthesis and separation.
Cybulski O, Dygas M, Mikulak-Klucznik B, Siek M, Klucznik T, Choi SY, Mitchell RJ, Sobolev YI, Grzybowski BA. Cybulski O, et al. Among authors: klucznik t. Nature. 2020 Oct;586(7827):57-63. doi: 10.1038/s41586-020-2768-9. Epub 2020 Sep 30. Nature. 2020. PMID: 32999483
Automatic mapping of atoms across both simple and complex chemical reactions.
Jaworski W, Szymkuć S, Mikulak-Klucznik B, Piecuch K, Klucznik T, Kaźmierowski M, Rydzewski J, Gambin A, Grzybowski BA. Jaworski W, et al. Among authors: klucznik t. Nat Commun. 2019 Mar 29;10(1):1434. doi: 10.1038/s41467-019-09440-2. Nat Commun. 2019. PMID: 30926819 Free PMC article.
Computer-Assisted Synthetic Planning: The End of the Beginning.
Szymkuć S, Gajewska EP, Klucznik T, Molga K, Dittwald P, Startek M, Bajczyk M, Grzybowski BA. Szymkuć S, et al. Among authors: klucznik t. Angew Chem Int Ed Engl. 2016 May 10;55(20):5904-37. doi: 10.1002/anie.201506101. Epub 2016 Apr 8. Angew Chem Int Ed Engl. 2016. PMID: 27062365 Review.