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Desirability-based multi-objective QSAR in drug discovery.
Cruz-Monteagudo M, Cordeiro MN, Tejera E, Dominguez ER, Borges F. Cruz-Monteagudo M, et al. Among authors: tejera e. Mini Rev Med Chem. 2012 Sep 1;12(10):920-35. doi: 10.2174/138955712802762329. Mini Rev Med Chem. 2012. PMID: 22420570 Review.
Systemic QSAR and phenotypic virtual screening: chasing butterflies in drug discovery.
Cruz-Monteagudo M, Schürer S, Tejera E, Pérez-Castillo Y, Medina-Franco JL, Sánchez-Rodríguez A, Borges F. Cruz-Monteagudo M, et al. Among authors: tejera e. Drug Discov Today. 2017 Jul;22(7):994-1007. doi: 10.1016/j.drudis.2017.02.004. Epub 2017 Mar 6. Drug Discov Today. 2017. PMID: 28274840 Free PMC article. Review.
Ensemble-Based Modeling of Chemical Compounds with Antimalarial Activity.
Caballero-Alfonso AY, Cruz-Monteagudo M, Tejera E, Benfenati E, Borges F, Cordeiro MNDS, Armijos-Jaramillo V, Perez-Castillo Y. Caballero-Alfonso AY, et al. Among authors: tejera e. Curr Top Med Chem. 2019;19(11):957-969. doi: 10.2174/1568026619666190510100313. Curr Top Med Chem. 2019. PMID: 31074369
Chemoinformatics Profiling of the Chromone Nucleus as a MAO-B/A2AAR Dual Binding Scaffold.
Cruz-Monteagudo M, Borges F, Cordeiro MNDS, Helguera AM, Tejera E, Paz-Y-Mino C, Sanchez-Rodriguez A, Perera-Sardina Y, Perez-Castillo Y. Cruz-Monteagudo M, et al. Among authors: tejera e. Curr Neuropharmacol. 2017 Nov 14;15(8):1117-1135. doi: 10.2174/1570159X15666170116145316. Curr Neuropharmacol. 2017. PMID: 28093976 Free PMC article.
From flamingo dance to (desirable) drug discovery: a nature-inspired approach.
Sánchez-Rodríguez A, Pérez-Castillo Y, Schürer SC, Nicolotti O, Mangiatordi GF, Borges F, Cordeiro MNDS, Tejera E, Medina-Franco JL, Cruz-Monteagudo M. Sánchez-Rodríguez A, et al. Among authors: tejera e. Drug Discov Today. 2017 Oct;22(10):1489-1502. doi: 10.1016/j.drudis.2017.05.008. Epub 2017 Jun 15. Drug Discov Today. 2017. PMID: 28624633 Free PMC article. Review.
CompScore: Boosting Structure-Based Virtual Screening Performance by Incorporating Docking Scoring Function Components into Consensus Scoring.
Perez-Castillo Y, Sotomayor-Burneo S, Jimenes-Vargas K, Gonzalez-Rodriguez M, Cruz-Monteagudo M, Armijos-Jaramillo V, Cordeiro MNDS, Borges F, Sánchez-Rodríguez A, Tejera E. Perez-Castillo Y, et al. Among authors: tejera e. J Chem Inf Model. 2019 Sep 23;59(9):3655-3666. doi: 10.1021/acs.jcim.9b00343. Epub 2019 Sep 6. J Chem Inf Model. 2019. PMID: 31449403
90 results