The recommended size is A0 format (120x85cm, portrait).


  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"