Dr. Mercedes Alfonso-Prieto


Postdoctoral researcher

Degree in Chemistry, University of Barcelona, Spain (2004)
Degree in Biochemistry, University of Barcelona, Spain (2005)
Master Structure and function of proteins, Autonomous University of Barcelona, Spain (2006)
PhD degree, Autonomous University of Barcelona, Spain (2009)
Office: Bio-Life Building, Room 106E
E-mail: malfonsoprieto@gmail.com
Voice: +1-215-204-4219
Fax: +1-215-204-2257
 Mailing Address:
Temple University. Institute for Computational Molecular Science
Bio-Life Building. Suite 106E
1900 N. 12th Street
Philadelphia, PA 19122

Appointments

04/2010 - now
Postdoctoral researcher, Institute for Computational Molecular Science, Temple University
10/2004 - 12/2009
PhD student, Quantum Simulation of Biological Processes Group, Barcelona Science Park

Interests

Awards

2006 Prize for excellence as undergraduate student in Biochemistry, University of Barcelona

Publications

  • A first principles study of the binding of formic acid in catalase complementing high resolution X-ray structures. C. Rovira, M. Alfonso-Prieto, X. Biarnes, X. Carpena, I. Fita, P. C. Loewen, Chem. Phys., 323(1), 129-137 (2006). (Link)
  • The structures and electronic configuration of compound I intermediates of Helicobacter pylori and Penicillium vitale catalases determined by X-ray crystallography and QM/MM density functional theory calculations. M. Alfonso-Prieto, A. Borovik, X. Carpena, G. Murshudov, W. Melik-Adamyan, I. Fita, C. Rovira, P. C. Loewen, J. Am. Chem. Soc., 129(14), 4193-5205 (2007). (Link)
  • Versatility of the electronic structure of compound I in catalases-peroxidases. P. Vidossich, M. Alfonso-Prieto, X. Carpena, P. C. Loewen, I. Fita, C. Rovira, J. Am. Chem. Soc., 129(44), 13436-13446 (2007). (Link)
  • The effect of a water molecule on the mechanism of formation of compound 0 in horseradish peroxidase. E. Derat, S. Shaik, C. Rovira, P. Vidossich, M. Alfonso-Prieto, J. Am. Chem. Soc. (Comm.), 129(20), 6346-6347 (2007). (Link)
  • Electronic state of the molecular oxygen released by catalase. M. Alfonso-Prieto, P. Vidossich, A. Rodriguez-Fortea, X. Carpena, I. Fita, P. C. Loewen, C. Rovira, J. Phys. Chem. A, 112(50), 12842-12848 (2008). (Link)
  • The molecular mechanism of the catalase reaction. M. Alfonso-Prieto, X. Biarnes, P. Vidossich, C. Rovira, J. Am. Chem. Soc., 131(33), 11751-11761 (2009). (Link)
  • On the role of water in peroxidase catalysis: a theoretical investigation of HRP compound I formation P. Vidossich, G. Fiorin, M. Alfonso-Prieto, E. Derat, S. Shaik, C. Rovira, J. Phys. Chem. B 114(15), 5161-5169 (2010). (Link)
  • The dynamic role of distal side residues in heme hydroperoxidase catalysis. Interplay between X-ray crystallography and ab initio simulations. P. Vidossich, M. Alfonso-Prieto, X. Carpena, I. Fita, P. C. Loewen, C. Rovira, Arch. Biochem. Biophys.i, 500(1), 37-44 (2010). (Link)
  • Modulation of Abeta42 fibrillogenesis by glycosaminoglycan structure. J. J. Valle-Delgado, M. Alfonso-Prieto, N. S. deGroot, S. Ventura, J. Samitier, C. Rovira, X. Fernandez-Busquets, FASEB J. in press (2010). (Link)