Presentations

Conferences

  • Electronic Structure Principles and Applications - ESPA2024.
    Undertanding metallo-beta-lactamase reactivity: QM/MM investigation of the reaction mechanism
    Universitat Rovira i Virgili, Tarragona, Spain, June 2024.

  • VI Coloquio de Simulaciones Computacionales en Ciencias - Laboratorio Virtual de Modelado de Materiales (LVMM) - 2023.
    Computational tools to elucidate the catalytic mechanism of enzymes with biomedical implications
    Universidad Nacional Autónoma de México, August 2023.

  • Seminars - UMG 2023.
    1) Computational Modelling of Metallo-enzymes.
    2) Using computational tools to study the catalytic mechanism of metal-protein Interactions.
    University of Catanzaro, Catanzaro, Italy, February 2023.

  • Seminar - UNICAL 2023.
    Using Computational Tools tp Study the Catalytic Mechanism of Enzymes with Biomedical Implications.
    University of Calabria, Calabria, Italy, February 2023.

  • The Quantum Chemistry and Molecular Modeling Symposium - QCMM 2022.
    Computational Modeling of Metallo-beta-Lactamase Enzyme for QM/MM Calculations.
    Universidad de Concepción, Concepción, Chile, Octubre 2022.

  • Seminarios Facultad de Ciencias - UBB 2022.
    Uso de la mecánica cuántica y mecánica molecular (QM/MM) para el estudio de reacciones catalizadas por enzimas.
    Universidad del Bío-Bío, Campus Fernando May, Chillán, Chile, Septiembre 2022.

  • 8th Latin American Symposium on Coordination and Organometallic Chemistry (SILQCOM8) 2022.
    Computational modeling of Metallo-ß-Lactamase enzyme for QM/MM calculations: Catalytic Reaction Mechanism.
    Institute of Advanced Materials (INAM) - Universitat Jaume I, Spain, March 2022 (online conference).

  • Catalysis and Chemical Engineering 2021.
    Using Computational Tools to Study the Catalytic Mechanism of Intramolecular Activation of the ThDP Cofactor.
    University of South Carolina, USA, July 2021 (online conference).

  • UCIBIO Annual Meeting 2018.
    QM/MM study of the Catalytic Mechanism of Human β-ketoacyl Reductase.
    Universidade Nova de Lisboa, Lisboa, Portugal, September 2018.

  • The Quantum Bio-Inorganic Chemistry (QBIC-IV) 2018.
    QM/MM study of the Reaction Mechanism of the Dehydratase Domain from mFAS.
    University of Bath, Bath, United Kingdom, September 2018.

Poster in Conferences

  • 11th Triennial Congress of the World Association of Theoretical and Computational Chemists (WATOC)
    QM/MM study of the Catalytic Mechanism of Human β-ketoacyl Reductase. Munich, Germany, August 2017.

  • Dynapeutics Scientific School.
    Catalytic Mechanism of Human β-ketoacyl Reductase: a QM/MM study. Basque Country, Spain, September 2016.

  • XXXIX Congress of Theoretical Chemists of Latin Expression (QUITEL).
    Computational study of the interaction between halogen anions and heterasumanenes. Granada, Spain, June 2013.

  • XXXIX Congress of Theoretical Chemists of Latin Expression (QUITEL).
    On the Inhibition of AHAS by Sulfonylureas: A Theoretical Study. Granada, Spain, June 2013.

  • XXXVIII Congress of Theoretical Chemists of Latin Expression (QUITEL).
    Theoretical study for inhibition comprises enzyme acetohydroxy acid synthase (AHAS) by herbicides. Natal, Brasil, December 2012.

  • XXIX Congreso Chileno de Quı́mica.
    Calculations of redox potentials and pKa DFT laccase mediators. Linares, Chile, 2011.

Disclosure Talks

The aim of this talk is to introduce real applications of computational modeling to young students.

  • Modelamiento Molecular: Aplicaciones en la Química Sostenible.
    Seminario de Formación en Química 2023 (SeFQui23), Universidad del Bío-Bío, Chile, November 2023. (Evento dirigido a profesores de enseñanza media)

    • Nociones de Química-Computacional: Estudios sobre reacciones catalizadas por enzimas.
      Segunda Escuela de Primavera: Magíster en Ciencias Biológicas y Doctorado en Ciencias, Universidad del Bío-Bío, Chile, October 2022.

      • Cómo preparar a sus estudiantes para adquirir habilidades de Modelado Computacional.
        Seminario de Formación en Química 2022 (SeFQui22), Universidad del Bío-Bío, Chile, October 2022. (Evento dirigido a profesores de enseñanza media)

        • La Quı́mica en los Procesos de la vida, Experimentos con Computadores para mirar las Moléculas.
          Ciclo de Charlas Nodo Gestión del Cambio y Liderazgo Femenino (Ci2030), Charla Online para Colegios del país, Chile, October 2022.

          • Quı́mica–Teórica y Computacional: con énfasis en sistemas biológicos y aplicaciones biomédica.
            I Feria de Ciencia - CATCe 2021, Colegio Adventista Talcahuano Centro, Talcahuano, Chile, October 2021.