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Benchmark of Generic Shapes for Macrocycles.
Reyes Romero A, Ruiz-Moreno AJ, Groves MR, Velasco-Velázquez M, Dömling A. Reyes Romero A, et al. J Chem Inf Model. 2020 Dec 28;60(12):6298-6313. doi: 10.1021/acs.jcim.0c01038. Epub 2020 Dec 3. J Chem Inf Model. 2020. PMID: 33270455 Free PMC article.
Identification of SARS-CoV-2 Main Protease Inhibitors Using Chemical Similarity Analysis Combined with Machine Learning.
Juárez-Mercado KE, Gómez-Hernández MA, Salinas-Trujano J, Córdova-Bahena L, Espitia C, Pérez-Tapia SM, Medina-Franco JL, Velasco-Velázquez MA. Juárez-Mercado KE, et al. Among authors: velasco velazquez ma. Pharmaceuticals (Basel). 2024 Feb 12;17(2):240. doi: 10.3390/ph17020240. Pharmaceuticals (Basel). 2024. PMID: 38399455 Free PMC article.
Anthocyanins: Molecular Aspects on Their Neuroprotective Activity.
Zaa CA, Marcelo ÁJ, An Z, Medina-Franco JL, Velasco-Velázquez MA. Zaa CA, et al. Among authors: velasco velazquez ma. Biomolecules. 2023 Oct 31;13(11):1598. doi: 10.3390/biom13111598. Biomolecules. 2023. PMID: 38002280 Free PMC article. Review.
Scaffolding-Induced Property Modulation of Chemical Space.
Li J, Di Lorenzo V, Patil P, Ruiz-Moreno AJ, Kurpiewska K, Kalinowska-Tłuścik J, Velasco-Velázquez MA, Dömling A. Li J, et al. ACS Comb Sci. 2020 Jul 13;22(7):356-360. doi: 10.1021/acscombsci.0c00072. Epub 2020 Jun 8. ACS Comb Sci. 2020. PMID: 32441919 Free PMC article.
75 results