Computational Biophysics - Associated partner: GPCR Lab
 |
Dr. Luciana Capece |
l.capece "at" grs-sim.de
+49 2461 61 9560Education
| 2005 | Diploma |
| 2010 | PhD in Chemistry, University of Buenos Aires, Argentina . in Physics Thesis Title: “Structural basis of O2 coordination and activation in hemeproteins” Supervisors: Prof. Dario A. Estrín and Prof. Marcelo A. Marti |
Teaching Activity
| 10/2005 - 02/2010 | Graduate teaching assistant Inorganic, Analytical and Physical Chemistry Department School of Exact and Natural Sciences, University of Buenos Aires. |
| 03/2010 - | Instructor Inorganic, Analytical and Physical Chemistry Department School of Exact and Natural Sciences, University of Buenos Aires. |
Current Research
Structural and dynamical characterization of GPCRs, using multiscale molecular dynamics simulations.Publications
• A. Pesce, M. Nardini, S. Dewilde, L. Capece, M.A. Marti, S. Congia, M.D. Salter, G.C. Blouin, D.A. Estrin, P. Ascenzi, J.S. Olson, Ligand migration in the apolar tunnel of Cerebratus lacteus mini-hemoglobin, J. Biol. Chem v. 286, p. 5347-5358, 2011.• L. Capece, M. Arrar, A.E. Roitberg, S.R. Yeh , M.A. Marti and D.A. Estrin, Substrate Stereo-specificity in Tryptophan dioxygenase and Indoleamine 2,3- dioxygenase, v. 78, p. 2961-2972 (2010).
• L. Capece, A. Lewis-Ballester, D. Batabyal, N. Di Russo, S.R. Yeh, D.A. Estrin and M.A. Marti, The First Step of the Dioxygenation Reaction Carried Out by Tryptophan Dioxygenase and Indoleamine 2,3-Dioxygenase as revealed by QM/MM Studies, J. Biol. Inorg. Chem. v. 15, p. 811-823 (2010).
• A. Lewis-Ballester, D. Batabyal, T. Egawa, C. Lu, Y. Lin, M.A. Marti, L. Capece, D.A. Estrin, and S.R. Yeh, Evidence for a ferryl intermediate in a heme-based dioxygenase, Proc. Natl. Acad. Sci. v. 106, p. 17371-17376 (2009).
• L. Capece, M.A. Marti, A. Nadra, A. Bidon-Channal, F.J. Luque and D.A. Estrin, High Pressure Reveals Structural Determinants for Globin Hexacoordination: Neuroglobin and Myoglobin cases, PROTEINS: Structure, Function, and Bioinformatics v. 75, p. 885-894 (2009).
• L. Capece, D.A. Estrin, M.A. Marti, Dynamical characterization of the Heme NO Oxygen binding (H-NOX) domain. Insight into soluble guanylate cyclase allosteric transition, Biochemistry v. 47, p. 9416–9427 (2008).
• M.A. Marti, L. Capece, A. Bidon-Chanal, A. Crespo, V. Guallar, F.J. Luque, D.A. Estrin, NO reactivity with globins as investigated through computer simulation, Methods in Enzymology v. 437, p. 477-498 (2008).
• L. Capece, M.A. Marti, A. Crespo, F. Doctorovich, D.A. Estrin, Heme protein oxygen affinity regulation exerted by proximal effects, J. Am. Chem. Soc. v. 128, p. 12455-61 (2006).
• M.A. Martí, L. Capece, A. Crespo, F. Doctorovich, D.A. Estrin, Nitric Oxide Interaction with Cytochrome c´and its relevance to Guanylate Cyclase. Why does the Iron Histidine Bond Break? J. Am. Chem. Soc. v. 127, p. 7721-28 (2005).