Victor Guallar Tasies

2012

• PELE: Low Cost Protein-Ligand Dynamics and Induced Fit

  Structural & Computational Chemistry, Discovery Congress Chemistry, Munich (Germany)

  V. Guallar
• PELE: Low Cost Protein-Ligand Dynamics and Induced Fit

  Structural & Computational Chemistry, Discovery Congress Chemistry, Munich (Germany)

  V. Guallar
• Mapping ligand dynamics pathways in globin systems

  II International BIC Symposium, University of Canterbury, ChristChurch, New Zealand

  V. Guallar
• Using QM/MM Methods for the Exploration of Electron Transfer Pathways

  Current Inorganic Chemistry

  F. Lucas, D. Masone, S. Saen-oon, F. Wallrapp, and V. Guallar
• Exploration of Protein Conformational Change with PELE and Meta-Dynamics

  Journal of Chemical Theory and Computation

  B. P. Cossins, A. Hosseini, and V. Guallar
• Role of active site histidines in the two half-reactions of the aryl-alcohol oxidase catalytic cycle.

  Biochemistry

  A. Hernández-Ortega, F. Lucas, P. Ferreira, M. Medina, V. Guallar, and A. T. Martínez
• H-bond network optimization in protein-protein complexes: are all-atom force field scores enough?

  Proteins

  D. Masone, I. Cabeza de Vaca, C. Pons, J. Fernández-Recio, and V. Guallar
• Two tyrosyl radicals stabilize high oxidation States in cytochrome C oxidase for efficient energy conservation and proton translocation.

  Journal of the American Chemical Society

  M. A. Yu, T. Egawa, K. Shinzawa-Itoh, S. Yoshikawa, V. Guallar, S-R. Yeh, D. L. Rousseau, and G. J. Gerfen
• An atomistic view on human hemoglobin carbon monoxide migration processes.

  Biophysical journal

  F. M. Lucas, and V. Guallar
• Identification of dual mTORC1 and mTORC2 inhibitors in melanoma cells: Prodigiosin vs. obatoclax.

  Biochemical pharmacology

  M. Espona-Fiedler, V. Soto-Cerrato, A. Hosseini, J. M. Lizcano, V. Guallar, R. Quesada, T. Gao, and R. Pérez-Tomás