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Bond-based linear indices of the non-stochastic and stochastic edge-adjacency matrix. 1. Theory and modeling of ChemPhys properties of organic molecules.
Marrero-Ponce Y, Martínez-Albelo ER, Casañola-Martín GM, Castillo-Garit JA, Echevería-Díaz Y, Zaldivar VR, Tygat J, Borges JE, García-Domenech R, Torrens F, Pérez-Giménez F. Marrero-Ponce Y, et al. Mol Divers. 2010 Nov;14(4):731-53. doi: 10.1007/s11030-009-9201-5. Epub 2010 Jan 10. Mol Divers. 2010. PMID: 20063184
Rational Design of a Potential New Nematicide Targeting Chitin Deacetylase.
Galvez-Llompart M, Zanni R, Vela-Corcía D, Polonio Á, Perez-Gimenez F, Martínez-Cruz J, Romero D, Fernández-Ortuño D, Pérez-García A, Galvez J. Galvez-Llompart M, et al. Among authors: perez gimenez f. J Agric Food Chem. 2024 Feb 7;72(5):2482-2491. doi: 10.1021/acs.jafc.3c05258. Epub 2024 Jan 24. J Agric Food Chem. 2024. PMID: 38264997 Free PMC article.
Nucleotide's bilinear indices: novel bio-macromolecular descriptors for bioinformatics studies of nucleic acids. I. Prediction of paromomycin's affinity constant with HIV-1 Psi-RNA packaging region.
Marrero-Ponce Y, Ortega-Broche SE, Díaz YE, Alvarado YJ, Cubillan N, Cardoso GC, Torrens F, Pérez-Giménez F. Marrero-Ponce Y, et al. J Theor Biol. 2009 Jul 21;259(2):229-41. doi: 10.1016/j.jtbi.2009.02.021. Epub 2009 Mar 9. J Theor Biol. 2009. PMID: 19272394
Computational discovery of novel trypanosomicidal drug-like chemicals by using bond-based non-stochastic and stochastic quadratic maps and linear discriminant analysis.
Castillo-Garit JA, Vega MC, Rolon M, Marrero-Ponce Y, Kouznetsov VV, Torres DF, Gómez-Barrio A, Bello AA, Montero A, Torrens F, Pérez-Giménez F. Castillo-Garit JA, et al. Eur J Pharm Sci. 2010 Jan 31;39(1-3):30-6. doi: 10.1016/j.ejps.2009.10.007. Epub 2009 Oct 23. Eur J Pharm Sci. 2010. PMID: 19854271
Antiprotozoan lead discovery by aligning dry and wet screening: prediction, synthesis, and biological assay of novel quinoxalinones.
Martins Alho MA, Marrero-Ponce Y, Barigye SJ, Meneses-Marcel A, Machado Tugores Y, Montero-Torres A, Gómez-Barrio A, Nogal JJ, García-Sánchez RN, Vega MC, Rolón M, Martínez-Fernández AR, Escario JA, Pérez-Giménez F, Garcia-Domenech R, Rivera N, Mondragón R, Mondragón M, Ibarra-Velarde F, Lopez-Arencibia A, Martín-Navarro C, Lorenzo-Morales J, Cabrera-Serra MG, Piñero J, Tytgat J, Chicharro R, Arán VJ. Martins Alho MA, et al. Bioorg Med Chem. 2014 Mar 1;22(5):1568-85. doi: 10.1016/j.bmc.2014.01.036. Epub 2014 Jan 31. Bioorg Med Chem. 2014. PMID: 24513185
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