Publicacions en revistes

  • Ramis, R.; Casasnovas R.; Ortega-Castro, J.; Frau J.; Alvarez-Idaboy J.R.; Mora-Diez N., "Modelling the repair of carbon-centred protein radicals by the antioxidants glutathione and Trolox", "New Journal of Chemistry", Volum 43, Pàgines 2085-2097, 2019. Article.
  • Rafael Ramis; Rodrigo Casasnovas; Laura Mariño; Juan Frau; Miquel Adrover; Bartolomé Vilanova; Nelaine Mora-Diez; Joaquín Ortega-Castro, "A Density functional theory study of the free-radical scavenging activity of aminoguanidine. Comparison with its reactive carbonyl compound and metal scavenging activities.", "International Journal of Quantum Chemistry", Volum 119, Pàgines 1-8, 2019. Article.
  • Laura Mariño; Rodrigo Casasnovas; Rafael Ramis; Bartolomé Vilanova; Joaquín Ortega-Castro; Juan Frau; Miquel Adrover, "Does glycation really distort the peptide α-helicity?", "International Journal of Biological Macromolecules", Volum 129, Pàgines 254-266, 2019. Article.
  • Prasad Kollur S.; Ortega-Castro J.; Frau J.; Glossman-Mitnik D., "Chemical synthesis,spectroscopic studies, chemical reactivity properties and bioactivity scores of an azepin-based molecule", "Journal of Molecular Structure", Número 1180, Pàgines 300-306, 2019. Article.
  • Frau J.; Glossman-Mitnik D., "Computed Local Chemical Reactivity of Melanoidins Red M1 and Red M2 Using Conceptual DFT", "SDRP Journal of Computational Chemistry & Molecular Modelling", Volum 3, Número 1, Pàgines 1-17, 2019. Article.
  • Rafael Ramis; Joaquín Ortega-Castro; Rodrigo Casasnovas; Laura Mariño; Bartolomé Vilanova; Miquel Adrover; Juan Frau, "A Coarse-grained molecular dynamics approach to the study of the intrinsically disordered protein α-synuclein", "Journal Of Chemical Information And Modeling", Volum 59, Número 4, Pàgines 1458-1471, 2019. Article.
  • Riccardo Capelli; Anna Bochicchio; Giovanni Maria Piccini; Rodrigo Casasnovas; Paolo Carloni; Michele Parrinello, "Chasing the Full Free Energy Landscape of Neuroreceptor/Ligand Unbinding by Metadynamics Simulations", "Journal Of Chemical Theory And Computation", Volum 15, Número 5, Pàgines 3354-3361, 2019. Article.
  • Mandal, T.; Dey, A.; Pathak, S.; Islam, Md. M.; Konar, S.; Ortega-Castro, J.; Seth, S. K.r; Ray, P. P.; Frontera, A.; Mukhopadhyay, S., "Structures, photoresponse properties and DNA binding abilities of 4-?(4-?pyridinyl)?-?2-?pyridone salts", "Rsc Advances", Volum 9, Pàgines 9663-9677, 2019. Article.
  • Mandal, T.; Pathak, S.; Dey, A.; Islam, Md. M.; Seth, S. K.; Masum, A. A; Ortega-Castro, J; Ray, P P; Frontera, A; Mukhopadhyay, S, "Structures, Photoresponse Properties, and Biological Activity of Dicyano-?Substituted 4-?Aryl-?2-?pyridone Derivatives", "Acs Omega", Volum 4, Pàgines 7200-7212, 2019. Article.
  • R. Ramis; J. Ortega-Castro; C. Caballero; R. Casasnovas; A. Cerrillo; B. Vilanova; M. Adrover; J. Frau., "How does pyridoxamine inhibit the formation of advanced glycation end products? The role of its primary antioxidant activity", "Antioxidants", Volum 8, Pàgines 344, 2019. Article.
  • Humberto Martínez-Orozco; Laura Mariño; Ana Belén Uceda: Joaquín Ortega-Castro; Bartolomé Vilanova; Juan Frau; Miquel Adrover, "Nitration and Glycation Diminish the α-Synuclein Role in the Formation and Scavenging of Cu2+-Catalyzed Reactive Oxygen Species", "Acs Chemical Neuroscience", Volum 10, Número 6, Pàgines 2919-2930, 2019. Article.
  • Josefa Donoso; Laura Ferrer; Valeria Eim; Carlos Palomino; Rodrigo Casasnovas; Juan Moreno; Laura Mariño, "ADEC, a learning by doing experimental workshop on natural sciences to improve capabilities and scientific skills of primary school teachers", "EDULEARN Proceedings", 2019. Article.
  • Uceda A.B.; Mariño L.; Adrover M.; Vilanova B., "Understanding metal binding in neuromedin C", "Inorganica Chimica Acta", Volum 499, Número 119197, 2019. Article.
  • T. Mandal; S. Pathak; A. Dey; Md. M. Islam; S. K. Seth; A. Al Masum; J. Ortega-Castro; P. P. Ray; A. Frontera; S. Mukhopadhyay., "Structure, Photo Response Properties and Biological Activity of Dicyano-substituted 4-Aryl-2-Pyridone Derivatives.", "Acs Omega", Volum 4, Número 4, Pàgines 7200-7212, 2019. Article.
  • N. Hernandez-Haro; J. Ortega-Castro; Y.B. Martynov; R. G. Nazmitdinov; A. Frontera, "DFT prediction of band gap in organic-inorganic metal halide perovskites: An exchange-correlation functional benchmark study.", "Chemical Physics", Volum 516, Pàgines 225-231, 2019. Article.
  • K. Ghosh; S. Sil; P.P. Ray; J. Ortega-Castro; A. Frontera; S. Chattopadhyay, "Photosensitive Schottky barrier diode behavior of a semiconducting Co(III)-Na complex with a compartmental Schiff base ligand.", "Rsc Advances", Volum 9, Pàgines 34710-34719, 2019. Article.