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High-Throughput Docking Using Quantum Mechanical Scoring.
Cavasotto CN, Aucar MG. Cavasotto CN, et al. Among authors: aucar mg. Front Chem. 2020 Apr 21;8:246. doi: 10.3389/fchem.2020.00246. eCollection 2020. Front Chem. 2020. PMID: 32373579 Free PMC article.
De novo design approaches targeting an envelope protein pocket to identify small molecules against dengue virus.
Leal ES, Adler NS, Fernández GA, Gebhard LG, Battini L, Aucar MG, Videla M, Monge ME, Hernández de Los Ríos A, Acosta Dávila JA, Morell ML, Cordo SM, García CC, Gamarnik AV, Cavasotto CN, Bollini M. Leal ES, et al. Among authors: aucar mg. Eur J Med Chem. 2019 Nov 15;182:111628. doi: 10.1016/j.ejmech.2019.111628. Epub 2019 Aug 15. Eur J Med Chem. 2019. PMID: 31472473
Discovery of novel dengue virus entry inhibitors via a structure-based approach.
Leal ES, Aucar MG, Gebhard LG, Iglesias NG, Pascual MJ, Casal JJ, Gamarnik AV, Cavasotto CN, Bollini M. Leal ES, et al. Among authors: aucar mg. Bioorg Med Chem Lett. 2017 Aug 15;27(16):3851-3855. doi: 10.1016/j.bmcl.2017.06.049. Epub 2017 Jun 23. Bioorg Med Chem Lett. 2017. PMID: 28668194