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eTRANSAFE: data science to empower translational safety assessment.
Sanz F, Pognan F, Steger-Hartmann T, Díaz C, Asakura S, Amberg A, Bécourt-Lhote N, Blomberg N, Bosc N, Briggs K, Bringezu F, Brulle-Wohlhueter C, Brunak S, Bueters R, Callegaro G, Capella-Gutierrez S, Centeno E, Corvi J, Cronin MTD, Drew P, Duchateau-Nguyen G, Ecker GF, Escher S, Felix E, Ferreiro M, Frericks M, Furlong LI, Geiger R, George C, Grandits M, Ivanov-Draganov D, Kilgour-Christie J, Kiziloren T, Kors JA, Koyama N, Kreuchwig A, Leach AR, Mayer MA, Monecke P, Muster W, Nakazawa CM, Nicholson G, Parry R, Pastor M, Piñero J, Oberhauser N, Ramírez-Anguita JM, Rodrigo A, Smajic A, Schaefer M, Schieferdecker S, Soininen I, Terricabras E, Trairatphisan P, Turner SC, Valencia A, van de Water B, van der Lei JL, van Mulligen EM, Vock E, Wilkinson D. Sanz F, et al. Among authors: monecke p. Nat Rev Drug Discov. 2023 Aug;22(8):605-606. doi: 10.1038/d41573-023-00099-5. Nat Rev Drug Discov. 2023. PMID: 37316648 No abstract available.
The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods.
Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR. Zdrazil B, et al. Among authors: monecke p. Nucleic Acids Res. 2024 Jan 5;52(D1):D1180-D1192. doi: 10.1093/nar/gkad1004. Nucleic Acids Res. 2024. PMID: 37933841 Free PMC article.
A combination of spin diffusion methods for the determination of protein-ligand complex structural ensembles.
Pilger J, Mazur A, Monecke P, Schreuder H, Elshorst B, Bartoschek S, Langer T, Schiffer A, Krimm I, Wegstroth M, Lee D, Hessler G, Wendt KU, Becker S, Griesinger C. Pilger J, et al. Among authors: monecke p. Angew Chem Int Ed Engl. 2015 May 26;54(22):6511-5. doi: 10.1002/anie.201500671. Epub 2015 Apr 15. Angew Chem Int Ed Engl. 2015. PMID: 25877959
Crystallography-independent determination of ligand binding modes.
Orts J, Tuma J, Reese M, Grimm SK, Monecke P, Bartoschek S, Schiffer A, Wendt KU, Griesinger C, Carlomagno T. Orts J, et al. Among authors: monecke p. Angew Chem Int Ed Engl. 2008;47(40):7736-40. doi: 10.1002/anie.200801792. Angew Chem Int Ed Engl. 2008. PMID: 18767090 No abstract available.
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