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An Open Drug Discovery Competition: Experimental Validation of Predictive Models in a Series of Novel Antimalarials.
Tse EG, Aithani L, Anderson M, Cardoso-Silva J, Cincilla G, Conduit GJ, Galushka M, Guan D, Hallyburton I, Irwin BWJ, Kirk K, Lehane AM, Lindblom JCR, Lui R, Matthews S, McCulloch J, Motion A, Ng HL, Öeren M, Robertson MN, Spadavecchio V, Tatsis VA, van Hoorn WP, Wade AD, Whitehead TM, Willis P, Todd MH. Tse EG, et al. Among authors: robertson mn. J Med Chem. 2021 Nov 25;64(22):16450-16463. doi: 10.1021/acs.jmedchem.1c00313. Epub 2021 Nov 8. J Med Chem. 2021. PMID: 34748707 Free article.
Open source drug discovery - a limited tutorial.
Robertson MN, Ylioja PM, Williamson AE, Woelfle M, Robins M, Badiola KA, Willis P, Olliaro P, Wells TN, Todd MH. Robertson MN, et al. Parasitology. 2014 Jan;141(1):148-57. doi: 10.1017/S0031182013001121. Epub 2013 Aug 28. Parasitology. 2014. PMID: 23985301 Free PMC article. Review.
Open Source Drug Discovery: Highly Potent Antimalarial Compounds Derived from the Tres Cantos Arylpyrroles.
Williamson AE, Ylioja PM, Robertson MN, Antonova-Koch Y, Avery V, Baell JB, Batchu H, Batra S, Burrows JN, Bhattacharyya S, Calderon F, Charman SA, Clark J, Crespo B, Dean M, Debbert SL, Delves M, Dennis AS, Deroose F, Duffy S, Fletcher S, Giaever G, Hallyburton I, Gamo FJ, Gebbia M, Guy RK, Hungerford Z, Kirk K, Lafuente-Monasterio MJ, Lee A, Meister S, Nislow C, Overington JP, Papadatos G, Patiny L, Pham J, Ralph SA, Ruecker A, Ryan E, Southan C, Srivastava K, Swain C, Tarnowski MJ, Thomson P, Turner P, Wallace IM, Wells TN, White K, White L, Willis P, Winzeler EA, Wittlin S, Todd MH. Williamson AE, et al. Among authors: robertson mn. ACS Cent Sci. 2016 Oct 26;2(10):687-701. doi: 10.1021/acscentsci.6b00086. Epub 2016 Sep 14. ACS Cent Sci. 2016. PMID: 27800551 Free PMC article.
Inhibitory Kappa B Kinase α (IKKα) Inhibitors That Recapitulate Their Selectivity in Cells against Isoform-Related Biomarkers.
Anthony NG, Baiget J, Berretta G, Boyd M, Breen D, Edwards J, Gamble C, Gray AI, Harvey AL, Hatziieremia S, Ho KH, Huggan JK, Lang S, Llona-Minguez S, Luo JL, McIntosh K, Paul A, Plevin RJ, Robertson MN, Scott R, Suckling CJ, Sutcliffe OB, Young LC, Mackay SP. Anthony NG, et al. Among authors: robertson mn. J Med Chem. 2017 Aug 24;60(16):7043-7066. doi: 10.1021/acs.jmedchem.7b00484. Epub 2017 Aug 15. J Med Chem. 2017. PMID: 28737909 Free PMC article.
Experiences with a researcher-centric ELN.
Badiola KA, Bird C, Brocklesby WS, Casson J, Chapman RT, Coles SJ, Cronshaw JR, Fisher A, Frey JG, Gloria D, Grossel MC, Hibbert DB, Knight N, Mapp LK, Marazzi L, Matthews B, Milsted A, Minns RS, Mueller KT, Murphy K, Parkinson T, Quinnell R, Robinson JS, Robertson MN, Robins M, Springate E, Tizzard G, Todd MH, Williamson AE, Willoughby C, Yang E, Ylioja PM. Badiola KA, et al. Among authors: robertson mn. Chem Sci. 2015 Mar 1;6(3):1614-1629. doi: 10.1039/c4sc02128b. Epub 2014 Oct 20. Chem Sci. 2015. PMID: 29308130 Free PMC article.
94 results