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Year Number of Results
2012 4
2013 6
2014 3
2015 2
2016 1
2017 1
2018 1
2019 2
2020 2
2021 0
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Page 1
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: dittwald p. Nature. 2020 Dec;588(7836):83-88. doi: 10.1038/s41586-020-2855-y. Epub 2020 Oct 13. Nature. 2020. PMID: 33049755
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: dittwald p. 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.
Computational design of syntheses leading to compound libraries or isotopically labelled targets.
Molga K, Dittwald P, Grzybowski BA. Molga K, et al. Among authors: dittwald p. Chem Sci. 2019 Aug 16;10(40):9219-9232. doi: 10.1039/c9sc02678a. eCollection 2019 Oct 28. Chem Sci. 2019. PMID: 32055308 Free PMC article.
Computer-generated "synthetic contingency" plans at times of logistics and supply problems: scenarios for hydroxychloroquine and remdesivir.
Szymkuć S, Gajewska EP, Molga K, Wołos A, Roszak R, Beker W, Moskal M, Dittwald P, Grzybowski BA. Szymkuć S, et al. Among authors: dittwald p. Chem Sci. 2020 Jun 10;11(26):6736-6744. doi: 10.1039/d0sc01799j. eCollection 2020 Jul 14. Chem Sci. 2020. PMID: 33033595 Free PMC article.
MIND: A Double-Linear Model To Accurately Determine Monoisotopic Precursor Mass in High-Resolution Top-Down Proteomics.
Lermyte F, Dittwald P, Claesen J, Baggerman G, Sobott F, O'Connor PB, Laukens K, Hooyberghs J, Gambin A, Valkenborg D. Lermyte F, et al. Among authors: dittwald p. Anal Chem. 2019 Aug 6;91(15):10310-10319. doi: 10.1021/acs.analchem.9b02682. Epub 2019 Jul 23. Anal Chem. 2019. PMID: 31283196 Free article.
A Priori Estimation of Organic Reaction Yields.
Emami FS, Vahid A, Wylie EK, Szymkuć S, Dittwald P, Molga K, Grzybowski BA. Emami FS, et al. Among authors: dittwald p. Angew Chem Int Ed Engl. 2015 Sep 7;54(37):10797-801. doi: 10.1002/anie.201503890. Epub 2015 Jul 21. Angew Chem Int Ed Engl. 2015. PMID: 26215084
Predicting the outcomes of organic reactions via machine learning: are current descriptors sufficient?
Skoraczyński G, Dittwald P, Miasojedow B, Szymkuć S, Gajewska EP, Grzybowski BA, Gambin A. Skoraczyński G, et al. Among authors: dittwald p. Sci Rep. 2017 Jun 15;7(1):3582. doi: 10.1038/s41598-017-02303-0. Sci Rep. 2017. PMID: 28620199 Free PMC article.
On the Fine Isotopic Distribution and Limits to Resolution in Mass Spectrometry.
Dittwald P, Valkenborg D, Claesen J, Rockwood AL, Gambin A. Dittwald P, et al. J Am Soc Mass Spectrom. 2015 Oct;26(10):1732-45. doi: 10.1007/s13361-015-1180-4. Epub 2015 Aug 12. J Am Soc Mass Spectrom. 2015. PMID: 26265039 Free PMC article.
Inverted low-copy repeats and genome instability--a genome-wide analysis.
Dittwald P, Gambin T, Gonzaga-Jauregui C, Carvalho CM, Lupski JR, Stankiewicz P, Gambin A. Dittwald P, et al. Hum Mutat. 2013 Jan;34(1):210-20. doi: 10.1002/humu.22217. Epub 2012 Oct 11. Hum Mutat. 2013. PMID: 22965494 Free PMC article.
Towards automated discrimination of lipids versus peptides from full scan mass spectra.
Dittwald P, Nghia VT, Harris GA, Caprioli RM, Van de Plas R, Laukens K, Gambin A, Valkenborg D. Dittwald P, et al. EuPA Open Proteom. 2014 Sep 1;4:87-100. doi: 10.1016/j.euprot.2014.05.002. EuPA Open Proteom. 2014. PMID: 25414814 Free PMC article.
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