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EU-OPENSCREEN: A Novel Collaborative Approach to Facilitate Chemical Biology.
Brennecke P, Rasina D, Aubi O, Herzog K, Landskron J, Cautain B, Vicente F, Quintana J, Mestres J, Stechmann B, Ellinger B, Brea J, Kolanowski JL, Pilarski R, Orzaez M, Pineda-Lucena A, Laraia L, Nami F, Zielenkiewicz P, Paruch K, Hansen E, von Kries JP, Neuenschwander M, Specker E, Bartunek P, Simova S, Leśnikowski Z, Krauss S, Lehtiö L, Bilitewski U, Brönstrup M, Taskén K, Jirgensons A, Lickert H, Clausen MH, Andersen JH, Vicent MJ, Genilloud O, Martinez A, Nazaré M, Fecke W, Gribbon P. Brennecke P, et al. Among authors: mestres j. SLAS Discov. 2019 Mar;24(3):398-413. doi: 10.1177/2472555218816276. Epub 2019 Jan 7. SLAS Discov. 2019. PMID: 30616481 Free PMC article.
Design of a general-purpose European compound screening library for EU-OPENSCREEN.
Horvath D, Lisurek M, Rupp B, Kühne R, Specker E, von Kries J, Rognan D, Andersson CD, Almqvist F, Elofsson M, Enqvist PA, Gustavsson AL, Remez N, Mestres J, Marcou G, Varnek A, Hibert M, Quintana J, Frank R. Horvath D, et al. Among authors: mestres j. ChemMedChem. 2014 Oct;9(10):2309-26. doi: 10.1002/cmdc.201402126. Epub 2014 Jul 15. ChemMedChem. 2014. PMID: 25044981
Design, quality and validation of the EU-OPENSCREEN fragment library poised to a high-throughput screening collection.
Jalencas X, Berg H, Espeland LO, Sreeramulu S, Kinnen F, Richter C, Georgiou C, Yadrykhinsky V, Specker E, Jaudzems K, Miletić T, Harmel R, Gribbon P, Schwalbe H, Brenk R, Jirgensons A, Zaliani A, Mestres J. Jalencas X, et al. Among authors: mestres j. RSC Med Chem. 2024 Feb 12;15(4):1176-1188. doi: 10.1039/d3md00724c. eCollection 2024 Apr 24. RSC Med Chem. 2024. PMID: 38665834 Free PMC article.
Chemical probes for biological systems.
Garcia-Serna R, Mestres J. Garcia-Serna R, et al. Among authors: mestres j. Drug Discov Today. 2011 Feb;16(3-4):99-106. doi: 10.1016/j.drudis.2010.11.004. Epub 2010 Nov 18. Drug Discov Today. 2011. PMID: 21093609
Open Source Drug Discovery with the Malaria Box Compound Collection for Neglected Diseases and Beyond.
Van Voorhis WC, Adams JH, Adelfio R, Ahyong V, Akabas MH, Alano P, Alday A, Alemán Resto Y, Alsibaee A, Alzualde A, Andrews KT, Avery SV, Avery VM, Ayong L, Baker M, Baker S, Ben Mamoun C, Bhatia S, Bickle Q, Bounaadja L, Bowling T, Bosch J, Boucher LE, Boyom FF, Brea J, Brennan M, Burton A, Caffrey CR, Camarda G, Carrasquilla M, Carter D, Belen Cassera M, Chih-Chien Cheng K, Chindaudomsate W, Chubb A, Colon BL, Colón-López DD, Corbett Y, Crowther GJ, Cowan N, D'Alessandro S, Le Dang N, Delves M, DeRisi JL, Du AY, Duffy S, Abd El-Salam El-Sayed S, Ferdig MT, Fernández Robledo JA, Fidock DA, Florent I, Fokou PV, Galstian A, Gamo FJ, Gokool S, Gold B, Golub T, Goldgof GM, Guha R, Guiguemde WA, Gural N, Guy RK, Hansen MA, Hanson KK, Hemphill A, Hooft van Huijsduijnen R, Horii T, Horrocks P, Hughes TB, Huston C, Igarashi I, Ingram-Sieber K, Itoe MA, Jadhav A, Naranuntarat Jensen A, Jensen LT, Jiang RH, Kaiser A, Keiser J, Ketas T, Kicka S, Kim S, Kirk K, Kumar VP, Kyle DE, Lafuente MJ, Landfear S, Lee N, Lee S, Lehane AM, Li F, Little D, Liu L, Llinás M, Loza MI, Lubar A, Lucantoni L, Lucet I, Maes L, Mancama D, Mansour NR, March S, McGowan S, Medina Vera I, Meister S, Mercer L, Me… See abstract for full author list ➔ Van Voorhis WC, et al. Among authors: mestres j. PLoS Pathog. 2016 Jul 28;12(7):e1005763. doi: 10.1371/journal.ppat.1005763. eCollection 2016 Jul. PLoS Pathog. 2016. PMID: 27467575 Free PMC article.
In silico directed chemical probing of the adenosine receptor family.
Areias FM, Brea J, Gregori-Puigjané E, Zaki ME, Carvalho MA, Domínguez E, Gutiérrez-de-Terán H, Proença MF, Loza MI, Mestres J. Areias FM, et al. Among authors: mestres j. Bioorg Med Chem. 2010 May 1;18(9):3043-52. doi: 10.1016/j.bmc.2010.03.048. Epub 2010 Mar 27. Bioorg Med Chem. 2010. PMID: 20382540
Ligand-based approaches to in silico pharmacology.
Vidal D, Garcia-Serna R, Mestres J. Vidal D, et al. Among authors: mestres j. Methods Mol Biol. 2011;672:489-502. doi: 10.1007/978-1-60761-839-3_19. Methods Mol Biol. 2011. PMID: 20838981
141 results