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The application of the open pharmacological concepts triple store (open PHACTS) to support drug discovery research.
Ratnam J, Zdrazil B, Digles D, Cuadrado-Rodriguez E, Neefs JM, Tipney H, Siebes R, Waagmeester A, Bradley G, Chau CH, Richter L, Brea J, Evelo CT, Jacoby E, Senger S, Loza MI, Ecker GF, Chichester C. Ratnam J, et al. Among authors: senger s. PLoS One. 2014 Dec 18;9(12):e115460. doi: 10.1371/journal.pone.0115460. eCollection 2014. PLoS One. 2014. PMID: 25522365 Free PMC article.
Open PHACTS computational protocols for in silico target validation of cellular phenotypic screens: knowing the knowns.
Digles D, Zdrazil B, Neefs JM, Van Vlijmen H, Herhaus C, Caracoti A, Brea J, Roibás B, Loza MI, Queralt-Rosinach N, Furlong LI, Gaulton A, Bartek L, Senger S, Chichester C, Engkvist O, Evelo CT, Franklin NI, Marren D, Ecker GF, Jacoby E. Digles D, et al. Among authors: senger s. Medchemcomm. 2016 Jun 1;7(6):1237-1244. doi: 10.1039/c6md00065g. Epub 2016 May 11. Medchemcomm. 2016. PMID: 27774140 Free PMC article.
Scientific competency questions as the basis for semantically enriched open pharmacological space development.
Azzaoui K, Jacoby E, Senger S, Rodríguez EC, Loza M, Zdrazil B, Pinto M, Williams AJ, de la Torre V, Mestres J, Pastor M, Taboureau O, Rarey M, Chichester C, Pettifer S, Blomberg N, Harland L, Williams-Jones B, Ecker GF. Azzaoui K, et al. Among authors: senger s. Drug Discov Today. 2013 Sep;18(17-18):843-52. doi: 10.1016/j.drudis.2013.05.008. Epub 2013 May 20. Drug Discov Today. 2013. PMID: 23702085 Free article. Review.
BRADSHAW: a system for automated molecular design.
Green DVS, Pickett S, Luscombe C, Senger S, Marcus D, Meslamani J, Brett D, Powell A, Masson J. Green DVS, et al. Among authors: senger s. J Comput Aided Mol Des. 2020 Jul;34(7):747-765. doi: 10.1007/s10822-019-00234-8. Epub 2019 Oct 21. J Comput Aided Mol Des. 2020. PMID: 31637565 Free PMC article.
The discovery of potent and long-acting oral factor Xa inhibitors with tetrahydroisoquinoline and benzazepine P4 motifs.
Watson NS, Adams C, Belton D, Brown D, Burns-Kurtis CL, Chaudry L, Chan C, Convery MA, Davies DE, Exall AM, Harling JD, Irvine S, Irving WR, Kleanthous S, McLay IM, Pateman AJ, Patikis AN, Roethke TJ, Senger S, Stelman GJ, Toomey JR, West RI, Whittaker C, Zhou P, Young RJ. Watson NS, et al. Among authors: senger s. Bioorg Med Chem Lett. 2011 Mar 15;21(6):1588-92. doi: 10.1016/j.bmcl.2011.01.129. Epub 2011 Feb 2. Bioorg Med Chem Lett. 2011. PMID: 21349711
155 results