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MAIP: a web service for predicting blood-stage malaria inhibitors.
Bosc N, Felix E, Arcila R, Mendez D, Saunders MR, Green DVS, Ochoada J, Shelat AA, Martin EJ, Iyer P, Engkvist O, Verras A, Duffy J, Burrows J, Gardner JMF, Leach AR. Bosc N, et al. Among authors: leach ar. J Cheminform. 2021 Feb 22;13(1):13. doi: 10.1186/s13321-021-00487-2. J Cheminform. 2021. PMID: 33618772 Free PMC article.
Fragment screening: an introduction.
Leach AR, Hann MM, Burrows JN, Griffen EJ. Leach AR, et al. Mol Biosyst. 2006 Sep;2(9):430-46. doi: 10.1039/b610069b. Mol Biosyst. 2006. PMID: 17153140
Computer-aided molecular design under the SWOTlight.
Green DV, Leach AR, Head MS. Green DV, et al. Among authors: leach ar. J Comput Aided Mol Des. 2012 Jan;26(1):51-6. doi: 10.1007/s10822-011-9514-1. Epub 2011 Dec 15. J Comput Aided Mol Des. 2012. PMID: 22170256 No abstract available.
The ChEMBL database in 2017.
Gaulton A, Hersey A, Nowotka M, Bento AP, Chambers J, Mendez D, Mutowo P, Atkinson F, Bellis LJ, Cibrián-Uhalte E, Davies M, Dedman N, Karlsson A, Magariños MP, Overington JP, Papadatos G, Smit I, Leach AR. Gaulton A, et al. Among authors: leach ar. Nucleic Acids Res. 2017 Jan 4;45(D1):D945-D954. doi: 10.1093/nar/gkw1074. Epub 2016 Nov 28. Nucleic Acids Res. 2017. PMID: 27899562 Free PMC article.
A large-scale dataset of in vivo pharmacology assay results.
Hunter FMI, L Atkinson F, Bento AP, Bosc N, Gaulton A, Hersey A, Leach AR. Hunter FMI, et al. Among authors: leach ar. Sci Data. 2018 Oct 23;5:180230. doi: 10.1038/sdata.2018.230. Sci Data. 2018. PMID: 30351302 Free PMC article.
70 results