| Natural carotenoids as nanomaterial precursors for molecular photovoltaics: a computational DFT study T Ruiz-Anchondo, N Flores-Holguín, D Glossman-Mitnik Molecules 15 (7), 4490-4510, 2010 | 85 | 2010 |
| Chemical Reactivity Properties, pKa Values, AGEs Inhibitor Abilities and Bioactivity Scores of the Mirabamides A–H Peptides of Marine Origin Studied by Means of … J Frau, N Flores-Holguín, D Glossman-Mitnik Marine Drugs 16 (9), 302, 2018 | 58 | 2018 |
| Computational molecular characterization of the flavonoid rutin SA Payán-Gómez, N Flores-Holguín, A Pérez-Hernández, ... Chemistry Central Journal 4 (1), 1-8, 2010 | 54 | 2010 |
| A fast and simple evaluation of the chemical reactivity properties of the pristinamycin family of antimicrobial peptides N Flores-Holguín, J Frau, D Glossman-Mitnik Chemical Physics Letters 739, 137021, 2020 | 44 | 2020 |
| Density functional theory (DFT) study of triphenylamine-based dyes for their use as sensitizers in molecular photovoltaics J Baldenebro-López, J Castorena-González, N Flores-Holguín, ... International journal of molecular sciences 13 (4), 4418-4432, 2012 | 41 | 2012 |
| Virtual screening of marine natural compounds by means of chemoinformatics and CDFT-based computational peptidology N Flores-Holguín, J Frau, D Glossman-Mitnik Marine drugs 18 (9), 478, 2020 | 39 | 2020 |
| Conceptual DFT-based computational peptidology of marine natural compounds: discodermins A–H N Flores-Holguín, J Frau, D Glossman-Mitnik Molecules 25 (18), 4158, 2020 | 39 | 2020 |
| Evaluation of Annona muricata acetogenins as potential anti-SARS-CoV-2 agents through computational approaches SK Prasad, S Pradeep, C Shimavallu, SP Kollur, A Syed, N Marraiki, ... Frontiers in chemistry 8, 624716, 2021 | 38 | 2021 |
| Theoretical study of chemical reactivity of the main species in the α-pinene isomerization reaction N Flores-Holguín, A Aguilar-Elguézabal, LM Rodríguez-Valdez, ... Journal of Molecular Structure: THEOCHEM 854 (1-3), 81-88, 2008 | 35 | 2008 |
| Chemical reactivity theory and empirical bioactivity scores as computational peptidology alternative tools for the study of two anticancer peptides of marine origin J Frau, N Flores-Holguín, D Glossman-Mitnik Molecules 24 (6), 1115, 2019 | 34 | 2019 |
| Chemical-reactivity properties, drug likeness, and bioactivity scores of Seragamides A–F anticancer marine peptides: conceptual density functional theory viewpoint N Flores-Holguín, J Frau, D Glossman-Mitnik Computation 7 (3), 52, 2019 | 31 | 2019 |
| Theoretical calculation of the maximum absorption wavelength for Cyanidin molecules with several methodologies NA Sanchez-Bojorge, LM Rodriguez-Valdez, D Glossman-Mitnik, ... Computational and Theoretical Chemistry 1067, 129-134, 2015 | 31 | 2015 |
| Conceptual DFT as a helpful chemoinformatics tool for the study of the clavanin family of antimicrobial marine peptides N Flores-Holguín, J Frau, D Glossman-Mitnik Density functional theory calculations 1, 2019 | 30 | 2019 |
| Theoretical calculations of molecular dipole moment, polarizability, and first hyperpolarizability of glycine–sodium nitrate J Hernández-Paredes, D Glossman-Mitnik, A Duarte-Moller, ... Journal of Molecular Structure: THEOCHEM 905 (1-3), 76-80, 2009 | 29 | 2009 |
| Computational molecular nanoscience study of the properties of copper complexes for dye-sensitized solar cells J Baldenebro-López, J Castorena-González, N Flores-Holguín, ... International Journal of Molecular Sciences 13 (12), 16005-16019, 2012 | 28 | 2012 |
| Computational prediction of bioactivity scores and chemical reactivity properties of the Parasin I therapeutic peptide of marine origin through the calculation of global and … N Flores-Holguín, J Frau, D Glossman-Mitnik Theoretical Chemistry Accounts 138, 1-9, 2019 | 27 | 2019 |
| In vitro anticancer activity of 4 (3H)-quinazolinone derived Schiff base and its Cu (II), Zn (II) and Cd (II) complexes: Preparation, X-ray structural, spectral … UP Ashok, SP Kollur, BP Arun, C Sanjay, KS Suresh, N Anil, HV Baburao, ... Inorganica Chimica Acta 511, 119846, 2020 | 25 | 2020 |
| Investigation of antifungal properties of synthetic dimethyl-4-bromo-1-(substituted benzoyl) pyrrolo [1, 2-a] quinoline-2, 3-dicarboxylates analogues: Molecular docking studies … V Uppar, S Chandrashekharappa, C Shivamallu, S P, SP Kollur, ... Molecules 26 (9), 2722, 2021 | 24 | 2021 |
| Structure-fluorescence relationship: interplay of non-covalent interactions in homologous 1, 3, 5-triaryl-2-pyrazolines A Abbas, N Flores-Holguin, MM Naseer New journal of chemistry 39 (6), 4359-4367, 2015 | 24 | 2015 |
| Molecular design of copper complexes as sensitizers for efficient dye-sensitized solar cells J Baldenebro-Lopez, N Flores-Holguin, J Castorena-Gonzalez, ... Journal of Photochemistry and Photobiology A: Chemistry 267, 1-5, 2013 | 23 | 2013 |
