Victor Guallar Tasies

2014

• Computation and experiment meet together: a powerful approach to rational re-design of oxidoreductases

  OxiZymes2014. Vienna, Austria

  E. Monza
• Binding free energy and ligand orientation calculations using Monte Carlo method with Markov State analysis

  Entropy in Biomolecular Systems Workshop. Vienna, Austria

  D. Lecina
• Coupling Protein Dynamics with Active Site Chemistry: a MM and QM tale

  ICPP8 International Conference on Porphyrins and Phtalocyanines, Istanbul, Turkey

  V. Guallar
• Using PELE for Structural Biology

  4th Visegrad Symposium on Structural Systems Biology, Nove Hrady, Czech Republic

  V. Guallar
• Correlated Inter-Domain Motions in Adenylate Kinase

  PLoS computational biology

  S. Esteban-Martín, R. Bryn Fenwick, J. \ AAdén, B. Cossins, C. W. Bertoncini, V. Guallar, M. Wolf-Watz, and X. Salvatella
• Structural implications of the C-terminal tail in the catalytic and stability properties of manganese peroxidases from ligninolytic fungi

  Acta Crystallographica Section D: Biological Crystallography

  E. Fernández-Fueyo, S. Acebes, F. J. Ruiz-Dueñas, M. Jesús Martínez, A. Romero, F. Javier Medrano, V. Guallar, and A. T. Martínez
• Conformational Response to Ligand Binding in Phosphomannomutase2 INSIGHTS INTO INBORN GLYCOSYLATION DISORDER

  Journal of Biological Chemistry

  G. Andreotti, I. Cabeza de Vaca, A. Poziello, M. Chiara Monti, V. Guallar, and M. Vittoria Cubellis
• Atomic Level Rendering of DNA-Drug Encounter

  Biophysical Journal

  M. F. Lucas, I. Cabeza de Vaca, R. Takahashi, J. Rubio-Martinez, and V. Guallar
• Monte Carlo Free Ligand Diffusion with Markov State Model Analysis and Absolute Binding Free Energy Calculations

  Journal of Chemical Theory and Computation

  R. Takahashi, V. A. Gil, and V. Guallar
• Atomic Picture of Ligand Migration in Toluene 4-Monooxygenase

  The Journal of Physical Chemistry B

  A. Hosseini, M. Brouk, M F. Lucas, F. Glaser, A. Fishman, and V. Guallar