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Darío Ariel Estrin

Position: Research Staff of CONICET (Investigador Superior).
Laboratory or research group: Molecular Modeling.
Tel: 5411 4576-3378/79/80 ext. 105 - Fax: 5411 4576-3341
E-mail: dario@qi.fcen.uba.ar
Website: www.qi.fcen.uba.ar/personales/estrin.htm

Studies in Chemistry: MSc in Chemistry (Licenciado), University of Buenos Aires, Argentina, 1985.
PhD in Chemistry, University of La Plata, Argentina, 1989.
Postdoc: Ohio State University, OH, USA, Chemistry, 1989-1991; Centro di Ricerca, Sviluppo, e Studi Superiori Sardegna, Italy, 1992-1994.
Teaching Positions: Full Professor, University of Buenos Aires (since 2010).
Position at CONICET: Principal Investigator.
Topics of interest: Computer simulation of biomolecules using classical and quantum tools.
Awards and Recognitions:
2007 John Simon Guggenheim Foundation Award.
2002 Ministry of Education (Argentina) Award in Chemistry.
2001 Academy of Sciences of Argentina, Award in Physical Chemistry.
1985 Argentina Chemical Society.
 
 
RECENT PUBLICATIONS:
h index 24, Total number of citations 1735 (source Scopus, June 2011).
• “Linking structure and thermal stability of the β-galactoside-binding protein galectin-1 to ligand binding and dimerization equilibria“, Di Lella, S.; Marti, M.A.; Croci, D.; Guardia, C.M.A.; Diaz-Ricci, J.; Rabinovich, G.; Caramelo, J.; Estrin, D.A., Biochemistry, (2010), 49, 7652-7658.
• “Evidence for a Ferryl Intermediate in a Heme-based Dioxygenase“, A. Lewis-Ballester, D. Batabyal, T. Egawa, C. Lu, Y. Lin, M.A. Marti, L. Capece, D. A. Estrin, S. Yeh, Proc. Natl. Acad. Sci. USA, (2009) 106, 17371-17376.
• “Bond or Cage effect: How Nitrophorins transport and release Nitric Oxide“, M. A. Marti, M. C. Gonzalez Lebrero, A. E. Roitberg, D. A. Estrin, J. Am. Chem. Soc. (2008) 130, 1611-1618.

MOST IMPORTANT PUBLICATIONS:
• "Scavenging of NO by Melatonin", A. G. Turjanski, F. Leonik, D. A. Estrin, R. E. Rosenstein, F. Doctorovich, J. Am. Chem. Soc. (2000) 122, 10468-10469. (56 citations).
• "Theoretical Study of the Truncated Hemoglobin HbN: Exploring the Molecular Basis of the NO Detoxification Mechanism", A. Crespo, M.A. Martí, S.G. Kalko, A. Morreale, M. Orozco, J.L. Gelpi, F.J. Luque, D.A. Estrin J. Am. Chem. Soc. (2005), 127, 4433-4444. (60 citations).
• "On small clusters of water molecules using Density Functional Theory", D. A. Estrin, L. Paglieri, G. Corongiu, E. Clementi, Journal of Physical Chemistry (American Chemical Society) (1996) 100,8701-8711. (156 citations).