59. Lorena Ruano. Talk: Computational Characterization of the Toxicity Mechanism of Dioxins: Membrane Permeation and Binding to the AhR Protein. Conference of Young Researchers in Atomic and Molecular Physics (J2IFAM). Valencia, Spain. February 2024.
58. Lucía López-Pacios. Talk: Binding and Photoisomerization of Trans and Cis DAD in the NaV1.5 Channel. Conference of Young Researchers in Atomic and Molecular Physics (J2IFAM). Valencia, Spain. February 2024.
57. Henar Mateo-delaFuente. Talk: Oxyluciferin Emitters Force Field Parameterization for Ground and Excited-State Dynamics. Conference of Young Researchers in Atomic and Molecular Physics (J2IFAM). Valencia, Spain. February 2024.
56. Jesús Lucia. Talk: Electronic Excitation and Ultrafast Charge Transfer in Nitrothiophenol Molecules Adsorbed on a Gold Surface. Conference of Young Researchers in Atomic and Molecular Physics (J2IFAM). Valencia, Spain. February 2024.
55. Julia Arnanz. Talk: From Photoprotection to Phototoxicity: Understanding UV filter PABA's Impact on DNA stability. Conference of Young Researchers in Atomic and Molecular Physics (J2IFAM). Valencia, Spain. February 2024.
54. Juan J. Nogueira. Invied Talk: Sampling and Environment: Essential Ingredients for Biological Modelling. V International Meeting on Trends in Enzyme Catalysis (TrEnCa). Benicassim, Spain. November 2023.
53. Jesús Lucia-Tamudo. Flash Talk and Poster: Computational Modelling of Redox Properties of Nucleobases in DNA. XIX Simposio de Jóvenes Investigadores Químicos de la RSEQ. Murcia, Spain. November 2023.
52. Julia Arnanz. Talk: Computational Insight on the Photostability of Sunscreens. XIX Simposio de Jóvenes Investigadores Químicos de la RSEQ. Murcia, Spain. November 2023.
51. Henar Mateo-delaFuente. Poster: Effect of the Protein Environment on the Electronic Properties of the Oxyluciferin/Luciferase System. XIX Simposio de Jóvenes Investigadores Químicos de la RSEQ. Murcia, Spain. November 2023.
50. Lucía López-Pacios. Poster: Photophysics and Binding Pockets of the DAD Photoswitch in the NaV1.5 Channel: A Theoretical Study. XIX Simposio de Jóvenes Investigadores Químicos de la RSEQ. Murcia, Spain. November 2023.
49. Juan J. Nogueira. Talk: Computational Ingredients to Model Biological Processes. XVII Iberian Joint Meeting on Atomic and Molecular Physics IBER. Coimbra, Portugal. September 2023.
48. Julia Arnanz. Poster: Unveiling the photosensitivity mechanisms of UVB filter PABA. XVII Iberian Joint Meeting on Atomic and Molecular Physics IBER. Coimbra, Portugal. September 2023.
47. Lucía López-Pacios. Poster: A computational study of the mode of action of the DAD photoswitch in the NaV1.5 channel. XVII Iberian Joint Meeting on Atomic and Molecular Physics IBER. Coimbra, Portugal. September 2023.
46. Juan J. Nogueira. Talk: Drug/Biomolecule Interactions: A Challenge for Computational Chemistry. XXXVIII Reunión Bienal de Química de la RSEQ. Zaragoza, Spain. June 2023.
45. Vito F. Palmisano. Flash Talk and Poster: Photoswitchable Psychedelics. XXXVIII Reunión Bienal de Química de la RSEQ. Zaragoza, Spain. June 2023.
44. Lorena Ruano. Poster: Computational Characterization of the Protein Binding of Persistent Organic Pollutants. XXXVIII Reunión Bienal de Química de la RSEQ. Zaragoza, Spain. June 2023.
43. Nuria Anguita-Ortiz. Poster: Molecular Dynamics Study of Ion Conduction through Voltage Gated Ion Channels. XXXVIII Reunión Bienal de Química de la RSEQ. Zaragoza, Spain. June 2023.
42. Jesús Lucia-Tamudo. Flash Talk and Poster: Computational Insight into Hybrid Organic Metal Interfaces with Biosensing Properties. XXXVIII Reunión Bienal de Química de la RSEQ. Zaragoza, Spain. June 2023.
41. Henar Mateo-delaFuente. Poster: Computational Characterization of the Relevance of the Luciferase Environment on the Electronic Properties of the Oxyluciferin Bioluminescent System. XXXVIII Reunión Bienal de Química de la RSEQ. Zaragoza, Spain. June 2023.
40. Vito Federico Palmisano. Poster: Photoswitchable Psychedelics – An Atomistic Perspective. III IAdChem 1-Day Workshop “Chemical Tools for the Biological World”. Madrid, Spain. Abril 2023.
39. Lorena Ruano. Talk: Automatic Computational Characterization of Drug/Protein Interactions by Energy Decomposition Analysis. III IAdChem 1-Day Workshop “Chemical Tools for the Biological World”. Madrid, Spain. Abril 2023.
38. Henar Mateo-delaFuente. Poster: Quantum Mechanical/Molecular Dynamics Approach for the Simulation of Electronic Properties of Complex Biological Media: the Case of Oxyluciferin/Luciferase Bioluminescent System. III IAdChem 1-Day Workshop “Chemical Tools for the Biological World”. Madrid, Spain. Abril 2023.
37. Juan J. Nogueira. Talk: Computational Modeling of Biological Systems by Classical and Quantum Mechanical Approaches. VI RSEQ Chemical Biology Group Meeting ChemBioVI. Valencia, Spain. March 2023.
36. Jesús Lucia-Tamudo. Talk: Computational Insight into Electrochemical DNA-Based Biosensors. II IAdChem Workshop in Biosensing and Bioimaging. Madrid, Spain. February 2023.
35. Henar Mateo. Poster: Computational Refinement of the Oxyluciferin/Luciferase System for its Applications in Bioimaging and Biosensing. II IAdChem Workshop in Biosensing and Bioimaging. Madrid, Spain. February 2023.
34. Nuria Anguita-Ortiz. Talk: Sodium and Potassium Conduction through Voltage-Gated Ion Channels by means of Molecular Dynamics Simulations. 10th Young Scientists Workshop on Theoretical Chemistry and Computational Modelling 2023. Madrid, Spain. January 2023.
33. Jesús Lucia-Tamudo. Talk: Influence of nucleotide sequences on redox properties and charge transfer along homogeneous single-stranded DNA. 10th Young Scientists Workshop on Theoretical Chemistry and Computational Modelling 2023. Madrid, Spain. January 2023.
32. Nuria Anguita-Ortiz. Poster: Molecular Dynamics Study of Ion Conduction through Eukaryotic Ion Channels. 13th CpiC Workshop. Madrid, Spain. January 2023.
31. Henar Mateo-delaFuente. Talk: Dynamic and Environmental Effects on the Conjugated 𝜋 System of the Oxyluciferin Anion within the Luciferase Enzyme. 13th CpiC Workshop. Madrid, Spain. January 2023.
30. Jesús Lucia-Tamudo. Talk: Charge Delocalization on DNA Single Strands Upon Oxidation. 13th CpiC Workshop. Madrid, Spain. January 2023.
29. Lorena Ruano. Talk: Automatic Computational Characterization of Drug/Amino Acid Interactions. 13th CpiC Workshop. Madrid, Spain. January 2023.
28. Vito Palmisano. Poster: Photoswitchable Psychedelics. Interdisciplinary Conference on Psychedelic Research 2022. Amsterdam, Netherlands. September 2022.
27. Nuria Anguita Ortiz. Talk: Computational Study of Ion Conduction through Eukaryotic Ion Channels by Molecular Dynamics. XVI Iberian Joint Meeting on Atomic and Molecular Physics (IBER). Málaga, Spain. September 2022.
26. Henar Mateo-delaFuente. Talk: Computational Characterization of the Photophysics of Oxyluciferin within the Luciferase Environment. XVI Iberian Joint Meeting on Atomic and Molecular Physics (IBER). Málaga, Spain. September 2022.
26. Henar Mateo-delaFuente. Poster: Computational Characterization of the Oxyluciferin/Luciferase Emission. VII Jornadas Ibéricas en Fotoquímica. Alcalá de Henares, Spain. September 2022.
25. Juan J. Nogueira. Invited Talk: Modelling Membrane Transport and Protein Binding. Congress on Electronic Structure: Principles and Applications (ESPA). Vigo, Spain. June 2022.
24. Gustavo Cárdenas. Talk: MoBioTools: A Toolkit to Automatically Set up QM/MM Calculations from an Ensemble of Geometries. Congress on Electronic Structure: Principles and Applications (ESPA) - Young Scientists Workshop on Theoretical Chemistry and Computational Modelling. Vigo, Spain. June 2022.
23. Henar Mateo-delaFuente. Poster: Sampling Effects on the Photophysics of Oxyluciferin within the Luciferase Environment. Congress on Electronic Structure: Principles and Applications (ESPA). Vigo, Spain. June 2022.
22. Jesús Lucia-Tamudo. Poster: Computation of the One-Electron Oxidation Potentials for Nucleobases in Aqueous Phase and Adsorbed on a Gold Surface: Setting up a Protocol. Congress on Electronic Structure: Principles and Applications (ESPA). Vigo, Spain. June 2022.
21. Álvaro Pérez-Barcia. Poster: Multicentre Electron Delocalization Analysis: Untangling Pericyclic and Pseudopericyclic Mechanisms. Congress on Electronic Structure: Principles and Applications (ESPA). Vigo, Spain. June 2022.
20. Lorena Ruano. Poster: Energy Decomposition Analysis of Drug/Protein Interactions. Congress on Electronic Structure: Principles and Applications (ESPA). Vigo, Spain. June 2022.
19. Nuria Anguita-Ortiz. Poster: Modelling Ion Selectivity and Permeation through Voltage-Gated Ion Channels. Congress on Electronic Structure: Principles and Applications (ESPA). Vigo, Spain. June 2022.
18. Vito Palmisano. Poster: Photoswitchable Agonist of the 5-HT2A Receptor. Congress on Electronic Structure: Principles and Applications (ESPA). Vigo, Spain. June 2022.
17. Juan J. Nogueira. Plenary Talk: Modeling Biological Systems: Electronic Structure, Sampling and Environment. Conference of Young Researchers in Atomic and Molecular Physics (J2IFAM). Santiago de Compostela, Spain. March 2022.
16. Nuria Anguita-Ortiz. Talk: Mechanisms of Ion Conduction through Eukaryotic Ion Channels by Molecular Dynamics Simulations. Conference of Young Researchers in Atomic and Molecular Physics (J2IFAM). Santiago de Compostela, Spain. March 2022.
15. Gustavo Cárdenas. Talk: QM/MM Energy Decomposition Analysis: Interactions of Cisplatin with a Lipid Membrane as Showcase. Conference of Young Researchers in Atomic and Molecular Physics (J2IFAM). Santiago de Compostela, Spain. March 2022.
14. Eleni Chontzopoulou. Talk: Repurposing artificial sweeteners as novel antitumoral drugs. Conference of Young Researchers in Atomic and Molecular Physics (J2IFAM). Santiago de Compostela, Spain. March 2022.
13. Lorena Ruano. Talk: The Permeation Mechanism of Cisplatin Through a Dioleoylphosphocholine Bilayer. Conference of Young Researchers in Atomic and Molecular Physics (J2IFAM). Santiago de Compostela, Spain. March 2022.
12. Álvaro Pérez-Barcia. Talk: Solute-Solvent Interactions in Water: a QM/MM Energy Decomposition Analysis Approach. Conference of Young Researchers in Atomic and Molecular Physics (J2IFAM). Santiago de Compostela, Spain. March 2022.
11. Jesús Lucia-Tamudo. Talk: Computation of Oxidation Potentials of Solvated Nucleobases by Static and Dynamic Multilayer Approaches. Conference of Young Researchers in Atomic and Molecular Physics (J2IFAM). Santiago de Compostela, Spain. March 2022.
10. Vito F. Palmisano. Talk: Photoswitchable Psychedelics – To the Discovery of Consciousness. Conference of Young Researchers in Atomic and Molecular Physics (J2IFAM). Santiago de Compostela, Spain. March 2022.
9. Vito F. Palmisano. Talk: Electron Donation Enhances Photoisomerization in Azobenzene Derivatives. Online Seminar: Iberian Symposium of Young Photochemists. October 2021.
8. Gustavo Cárdenas. Talk: An Algorithm to Correct for the Active Space in CASSCF and CASPT2 Calculations for Sampled Geometries. Online Seminar: Chemistry, Light and Dynamics Seminars, Fielding Research Group. March 2021.
7. Jesús Lucia-Tamudo. Poster: An Analysis of the Interactions between Gold Clusters and an Organic Substrate in the Gas Phase. Online Workshop MD-GAS COST Action: Processes in Atmospheric and Astrochemical Environments PATAS. January 2021.
6. Henar Mateo-delaFuente. Talk: How could fireflies enhance modern medicine? Royal Society of Chemistry Photophysics and Photochemistry Group’s Early Career Online Meeting 2020. Online. December 2020.
5. Gustavo Cárdenas. Talk: Excited States and Sampling with CASSCF: Automatic Correction of the Active Space. Royal Society of Chemistry Photophysics and Photochemistry Group’s Early Career Online Meeting 2020. Online. December 2020.
4. Gustavo Cárdenas. Poster Contribution: Electronic Structure of an Anthraquinone Anticancer Photosensitizer in Solution. Conference: Modelling Photoinduced Processes in Molecular Systems. London, UK. February 2020.
3. Juan J. Nogueira. Invited Talk: Effect of Biological Environments on Light Absorption. Invited talk. Workshop: Modelling Photoinduced Processes in Molecular Systems. London, UK. February 2020.
2. Juan J. Nogueira. Talk: Electronic Delocalization and Charge Transfer in the UV Absorption Spectra of Single and Double Stranded DNA. Conference: 3rd Workshop on DNA Damage and Repair (DNADNR): Chemistry, Biology, and Medicine. Valencia, Spain. September 2019.
1. Juan J. Nogueira. Invited Talk: The Influence of the Environment on Photoinduced Processes. Conference: 2nd International Vigo Meeting on Advanced Computational Chemistry. Vigo, Spain. June 2019.