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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.
Fusing Docking Scoring Functions Improves the Virtual Screening Performance for Discovering Parkinson's Disease Dual Target Ligands.
Perez-Castillo Y, Helguera AM, Cordeiro MNDS, Tejera E, Paz-Y-Mino C, Sanchez-Rodriguez A, Borges F, Cruz-Monteagudo M. Perez-Castillo Y, et al. Among authors: helguera am. Curr Neuropharmacol. 2017 Nov 14;15(8):1107-1116. doi: 10.2174/1570159X15666170109143757. Curr Neuropharmacol. 2017. PMID: 28067172 Free PMC article.
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: helguera am. Curr Neuropharmacol. 2017 Nov 14;15(8):1117-1135. doi: 10.2174/1570159X15666170116145316. Curr Neuropharmacol. 2017. PMID: 28093976 Free PMC article.
30 results