Dr. Marcos Brown Gonçalves  Research Associate Computational Biophysics      German Research School for Simulation Sciences Guest room 2006 52425 Jülich and Depto de Fisica dos Materiais e Mecanica Instituto de Fisica Universidade de Sao Paulo Brasil m.browngon "at" grs-sim.de +49 2461 61 8931

Education

1999	BSc. Applied and Instrumentation Physics; University of São Paulo, São Paulo - Brazil
2006	MSc. in Physics            MSc. Title: “Solid state effects and hydrogen bonding on the electric field gradient              at the nucleus in the imidazole”           Supervisor: Dr. Helena M. Petrilli University of São Paulo, São Paulo - Brazil
2010	PhD in Physics           Thesis Title: “Electronic and Structural Properties of Copper Complexes”           Supervisor: Dr. Helena M. Petrilli University of São Paulo, São Paulo - Brazil

Professional Career

2000 - 2005	Network Computer Analyst – CPM São Paulo Brazil
2011	Post-doc in Physics           Title: Theoretical studies of the interaction of copper complexes in the Albumin Protein"           Supervisor: Dr. Helena M. Petrilli University of São Paulo, São Paulo - Brazil

Current Research

QM/MM and TD-DFT studies of optical properties of fluorescent probes in a protein matrix.
QM/MM studies of the interaction of copper complexes with DNA.

Publications

•  F.C.D.A. Lima, R.R. Nascimento, M.B. Gonçalves, S.Cottenier, M.J. Caldas, H. M. Petrilli, Electric field gradient and electronic properties of crown thioether compounds Hyperfine Interactions v. 197 p. 23-27 2010.

•  P.M. Dias, L. Kinouti, V.R.L. Constantino, A.M.D.C. Ferreira, M.B. Gonçalves, R.R. Nascimento, H.M. Petrilli, M.J.Caldas R.C.G., Spectroscopic Characterization of Schiff base-Copper Complexes Immobilized in Smectite Clays, Frem Quimica Nova v. 33 p. 2135-2142, 2010.

•  M.A.A. Azzellini, M.P. Abbot, A.Machado, L.C.Garcia, G.F. Caramori, M.B. Gonçalves, H.M. Petrilli, A.M.D.C.Ferreira, Interactions of di-imine copper(II) complexes with albumin:competitive equilibria, promoted oxidative damage and DFT studies, Journal of the Brazilian Chemical Society, v.21, p.1303, 2010.

•  V.C. Silveira, G.F. Caramori, M.P. Aboott, M.B.Gonçalves, H.M. Petrilli, A.M. D.C. Ferreira, Oxindole-Schiff base copper(II) complexes interactions with human serum albumin: spectroscopic, oxidative damage, and computational studies, Journal of Inorganic Biochemistry, v. 103, p. 1331-1341, 2009.

•  M.B.Gonçalves, R.D. Felice, O.Kh. Poleshchuk, H.M. Petrilli, Ab initio study of the EFG at the N sites in imidazole, Hyperfine Interactions v. 181, p. 53-58, 2008.

Overview team "Computational Biophysics"