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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. 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. 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
Ligand-Based Virtual Screening Using Tailored Ensembles: A Prioritization Tool for Dual A2AAdenosine Receptor Antagonists / Monoamine Oxidase B Inhibitors.
Helguera AM, Perez-Castillo Y, D S Cordeiro MN, Tejera E, Paz-Y-Miño C, Sánchez-Rodríguez A, Teijeira M, Ancede-Gallardo E, Cagide F, Borges F, Cruz-Monteagudo M. Helguera AM, et al. Curr Pharm Des. 2016;22(21):3082-96. doi: 10.2174/1381612822666160302103542. Curr Pharm Des. 2016. PMID: 26932160 Review.
254 results