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Chemical, target, and bioactive properties of allosteric modulation.
van Westen GJ, Gaulton A, Overington JP. van Westen GJ, et al. Among authors: gaulton a. PLoS Comput Biol. 2014 Apr 3;10(4):e1003559. doi: 10.1371/journal.pcbi.1003559. eCollection 2014 Apr. PLoS Comput Biol. 2014. PMID: 24699297 Free PMC article.
PSICQUIC and PSISCORE: accessing and scoring molecular interactions.
Aranda B, Blankenburg H, Kerrien S, Brinkman FS, Ceol A, Chautard E, Dana JM, De Las Rivas J, Dumousseau M, Galeota E, Gaulton A, Goll J, Hancock RE, Isserlin R, Jimenez RC, Kerssemakers J, Khadake J, Lynn DJ, Michaut M, O'Kelly G, Ono K, Orchard S, Prieto C, Razick S, Rigina O, Salwinski L, Simonovic M, Velankar S, Winter A, Wu G, Bader GD, Cesareni G, Donaldson IM, Eisenberg D, Kleywegt GJ, Overington J, Ricard-Blum S, Tyers M, Albrecht M, Hermjakob H. Aranda B, et al. Among authors: gaulton a. Nat Methods. 2011 Jun 29;8(7):528-9. doi: 10.1038/nmeth.1637. Nat Methods. 2011. PMID: 21716279 Free PMC article. No abstract available.
Minimum information about a bioactive entity (MIABE).
Orchard S, Al-Lazikani B, Bryant S, Clark D, Calder E, Dix I, Engkvist O, Forster M, Gaulton A, Gilson M, Glen R, Grigorov M, Hammond-Kosack K, Harland L, Hopkins A, Larminie C, Lynch N, Mann RK, Murray-Rust P, Lo Piparo E, Southan C, Steinbeck C, Wishart D, Hermjakob H, Overington J, Thornton J. Orchard S, et al. Among authors: gaulton a. Nat Rev Drug Discov. 2011 Aug 31;10(9):661-9. doi: 10.1038/nrd3503. Nat Rev Drug Discov. 2011. PMID: 21878981 Review.
Collation and data-mining of literature bioactivity data for drug discovery.
Bellis LJ, Akhtar R, Al-Lazikani B, Atkinson F, Bento AP, Chambers J, Davies M, Gaulton A, Hersey A, Ikeda K, Krüger FA, Light Y, McGlinchey S, Santos R, Stauch B, Overington JP. Bellis LJ, et al. Among authors: gaulton a. Biochem Soc Trans. 2011 Oct;39(5):1365-70. doi: 10.1042/BST0391365. Biochem Soc Trans. 2011. PMID: 21936816
ChEMBL: a large-scale bioactivity database for drug discovery.
Gaulton A, Bellis LJ, Bento AP, Chambers J, Davies M, Hersey A, Light Y, McGlinchey S, Michalovich D, Al-Lazikani B, Overington JP. Gaulton A, et al. Nucleic Acids Res. 2012 Jan;40(Database issue):D1100-7. doi: 10.1093/nar/gkr777. Epub 2011 Sep 23. Nucleic Acids Res. 2012. PMID: 21948594 Free PMC article.
The ChEMBL bioactivity database: an update.
Bento AP, Gaulton A, Hersey A, Bellis LJ, Chambers J, Davies M, Krüger FA, Light Y, Mak L, McGlinchey S, Nowotka M, Papadatos G, Santos R, Overington JP. Bento AP, et al. Among authors: gaulton a. Nucleic Acids Res. 2014 Jan;42(Database issue):D1083-90. doi: 10.1093/nar/gkt1031. Epub 2013 Nov 7. Nucleic Acids Res. 2014. PMID: 24214965 Free PMC article.
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