Posters

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1. Calixto, Ana Rita: "The Relationship Between Conformational Fluctuations and Activation Energies of the HIV-1 Protease Catalytic Mechanism"
2. Chavan, Sonali: "An in silico approach to understand the mechanism of antibiotic resistance of carbapenemases, KPC-2"
3. Curado, Christian: "Computational study of the conformational dynamics of MAO-N and some laboratory-evolved variants"
4. Dalla Torre, Gabriele: "Aluminum, a Walk on Part in the War or a Lead Role in a Cage?"
5. De Raffele, Daria: "QM/MM theoretical studies of de novo design of retro-aldolases"
   
6. Di Tommaso, Stefania: "Color prediction of flexible dyes in solution: a computational approach"
7. Estévez, Miquel: "Molecular Dynamics Simulations of laboratory-evolved halohydrin dehalogenase enzymes for the synthesis of Lipitor"
8. Galmés, Miquel A.: "Theoretical study of the amidase activity of promiscuous Candida antarctica lipase B"
9. Grande-Aztatzi, Rafael: "Coordination of Al(III) to neurofilament fragments"
   
10. Jitonnom, Jitrayu: "Modeling of Hydrolysis and Transglycosylation in Glycosidases: Insights from QM/MM and QM Cluster Approaches"
11. Meelua, Wijitr: "Influence of ligand structure in the trimethylene carbonate polymerization by cationic zirconocene catalysts: A naked cation approach"
12. Meesong, Sasikan: "Theoretical Study of Catalytic Mechanism and Stereoselectivity of Dizinc Enzyme Dihydropyrimidinase"
13. Mercero, Jose M. : "Scientific Computing Research at the IZO-SGI SGIker UPV/EHU"
14. Moreno, Érica: "Insights for a Rational Design Using Free Energy Perturbation Method Calculations with QM/MM MD Simulations of Acetylcholinesterase Inhibitors"
15. Oliveira, Eduardo: "The Mechanism of Reduction of 3-hydroxy-3-methylglutaryl coenzyme A Catalyzed by Human HMG-CoA Reductase"
16. Palma-Orozco, Rosaura: "Molecular Dynamics simulations of human omentin"
17. Pérez-Sánchez, Horacio: "Development and application of structural bioinformatics methods in drug discovery on high performance computing architectures and its technology transfer to the pharma and biotech sectors"
18. Roca, Maite: "Dynamic effects in Human Purine Nucleoside Phosphorylase Catalysis"
19. Rosas-Trigueros, Jorge: "Towards a multi-player activation model of Bax: a molecular dynamics study"
20. Salassa, Luca: "Unconventional Modes of Photoactivation for Anticancer Metal-based Prodrugs"
21. Serrano, Natalia: "Autolysis mechanism of 20S Proteasome core particle"
22. Taghavi, Amirhossein: "Ancient DNA Sequences Partition into Triplets under Tension"
23. Veclani, Daniele: "Monofunctional platinum anticancer drugs: disentangling their hydrolysis and DNA-binding mechanisms by theoretical calculations"