Thursday 13 th June 2024.

9:23 – 9:30 Opening session. 

Chair: Vicent Moliner
9:30 – 10:10 PL1 Pedro Alexandrino Fernandes (Universidade do Porto).
                           ”Snake Venom Enzymes in Health and Disease."  
10:10 – 10:30 OL1 Macarena Poyatos. Organometallic and Homogeneous Catalysis group. INAM-UJI.
                            “Tuning the catalytic activity of Rh(I)-pincer complexes by supramolecular and redox stimuli” 
10:30 – 10:40 FP1 Sergio Martí. BioComp group. INAM-UJI.
                           “Having fun with ∆-learning” 
10:40 – 10:50 FP2 Laura Agost. Organic and Medicinal Chemistry Group. UJI.
                           “Cysteine proteases inhibitors into activity-based probes” 

10:50 – 11:20 Coffee-Tea break 

Chair: Macarena Poyatos
11:20 – 12:00 PL2 Vanesa Fernández-Moreira (Instituto de Síntesis Química y Catálisis Homogénea, CSIC-University of Zaragoza).
                           “Prospects of Cyclometalated Ir(III) Complexes in Photodynamic Therapy” 
12:00 – 12:20 OL2 Kirill Zinovjev. Medium Effects Research group. Universidad de Valencia.
                           “Multiscale biomolecular simulations with machine learning potentials”
12:20 – 12:30 FP3. Adrian Fernández. BioComp group (INAM-UJI) - Organic and Medicinal Chemistry Group (UJI).
                           “Rational design of cathepsin L inhibitors combining theoretical and experimental tolos” 
12:30 – 13:10 PL3 María Tomás Gamasa (Universidade do Santiago de Compostela.
                            “Conducting synthetic chemistry in living cells” 

13:10 – 15:00 Lunch. 

Chair: Floren V. González-Adelantado 
15:00 – 15:40 PL4 Sonsoles Santamaría. Centro de Investigaciones Biológicas Margarita Salas, CSIC.
                           “Multiscale simulations: from micelles to membranes and liposomes”. 
15:40 – 16:00 OL4 Maite Roca. BioComp group. INAM-UJI.
                           “Elucidating the Catalytic Reaction Mechanism of RNA-Dependent RNA Polymerase from SARS-CoV-2 “
16:00 – 16:40 PL5 Jose Luis Vicario (UPV-EHU).
                          “Enantioselective Transannular Reactions for the Generation of Polycyclic Scaffolds: An Unconventional Approach in Organic Synthesis Design” 

16:40 – 17:10 Coffee-Tea break 

Chair: Iñaki Tuñón 
17:10 – 17:50 PL6 Alessio Lodola. Universita di Parma.
                          “Models for the design of enzyme inhibitors” 
17:50 – 18:00 FP4 Johanna Schillings. Medium Effects Research group. Universidad de Valencia.
                          “Comparison between Pomotrelvir and Nirmatrelvir binding and reactivity with SARS-CoV-2 main protease” 
18:00 – 18:10 FP5 César Ruiz-Zambrana. Organometallic and Homogeneous Catalysis group. INAM-UJI.
                           “Gold (I) Complex with a Photoactive Ligand Behaves as a Two-in-One Dual Metallaphotoredox Cross-Coupling Catalyst” 

18:10 – 18:20 Closing Remarks

20:30 – 24:00 Dinner