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Release of 50 new, drug-like compounds and their computational target predictions for open source anti-tubercular drug discovery.
Rebollo-Lopez MJ, Lelièvre J, Alvarez-Gomez D, Castro-Pichel J, Martínez-Jiménez F, Papadatos G, Kumar V, Colmenarejo G, Mugumbate G, Hurle M, Barroso V, Young RJ, Martinez-Hoyos M, González del Río R, Bates RH, Lopez-Roman EM, Mendoza-Losana A, Brown JR, Alvarez-Ruiz E, Marti-Renom MA, Overington JP, Cammack N, Ballell L, Barros-Aguire D. Rebollo-Lopez MJ, et al. Among authors: papadatos g. PLoS One. 2015 Dec 7;10(12):e0142293. doi: 10.1371/journal.pone.0142293. eCollection 2015. PLoS One. 2015. PMID: 26642067 Free PMC article.
ChEMBL web services: streamlining access to drug discovery data and utilities.
Davies M, Nowotka M, Papadatos G, Dedman N, Gaulton A, Atkinson F, Bellis L, Overington JP. Davies M, et al. Among authors: papadatos g. Nucleic Acids Res. 2015 Jul 1;43(W1):W612-20. doi: 10.1093/nar/gkv352. Epub 2015 Apr 16. Nucleic Acids Res. 2015. PMID: 25883136 Free PMC article.
47 results