Dr. Gabriela Barreiro

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University of California, San Francisco
School of Pharmacy
Department of Pharmaceutical Chemistry
Matthew Jacobson Research Group
Visiting Postdoctoral ScholarAppointed: 2006

Mailing Address

UCSF
Department of Pharmaceutical Chemistry
Mission Bay Campus, Genentech Hall
600 16th Street, Mail Box #2240
San Francsico, California 94143
United States

Contact Information

gabriela.barreiro@gmail.com

Qualifications

D.Sc., Federal University of Rio de Janeiro, Organic Chemistry, 2001.
M.Sc., Federal University of Rio de Janeiro, Organic Chemistry, 1999.
B.Sc., Federal University of Rio de Janeiro, Pharmaceutical Sciences, 1997.

Expertise and Research Interests

Molecular Dynamics and Monte Carlo Simulations
Protein and Nucleic Acids Structure
Drug Design

Keywords

COS Keywords:

Chemical Sciences, Computational Chemistry, Drug Design, Nucleic Acids, Organic Chemistry, Proteins and Macromolecules, Structural Biology.

Memberships

American Chemical Society
Brazilian Chemical Society

Honors and Awards

1999, Best Poster in the Medicinal Chemistry Section of the 22nd Annual Meeting of the Brazilian Chemical Society., CNPq/Brazil (Brazilian Council of Research), Federal University of Rio de Janeiro

Previous Positions

2004-2005, Postdoctoral Research Associate, Yale University, Chemistry, William L. Jorgensen Research Group
2001-2003, Postdoctoral Research Associate, Wesleyan University, Chemistry, David L. Beveridge Research Group

Languages

(Reading, Writing, Speaking)

English: (Fluent, Fluent, Fluent)
Portuguese: (Fluent, Fluent, Fluent)
French: (Functional, Functional, Functional)

Funding Received

  • CNPq/Brazil: Postdoctoral Fellowship, 2001 to 2002.
  • CNPq/Brazil: D.Sc. Scholarship, 1999 to 2001.
  • CNPq/Brazil: M.Sc. Scholarship, 1997 to 1999.

Publications

  • C. A. F. Oliveira, C. R. W. Guimaraes, G. Barreiro, R. Bicca de Alencastro (2007) QM/MM Calculations Address the Dimer Requirement and the Role of Histidine 157 in the Catalytic Activity of the Human Cytomegalovirus Protease., J. Am. Chem. Soc., Submitted
  • G. Barreiro, J. T. Kim, C. R. W. Guimarães, C. M. Bailey, R. A. Domaoal, L. Wang, K. S. Anderson and W. L. Jorgensen (2007) From Docking False-Positive to Active Anti-HIV Agent, J. Med. Chem., Submitted
  • G. Barreiro, C. R. W. Guimaraes, Ivan Tubert-Brohman, J. Tirado-Rives and W. L. Jorgensen (2007) Chemical Similarity Search Applied to Non-Nucleoside HIV-1 Reverse Transcriptase Inhibitors, J. Chem. Inf. Model., Submitted
  • C. A. F. Oliveira, C. R. W. Guimaraes, G. Barreiro, R. Bicca de Alencastro (2007) Human Cytomegalovirus Protease: Why Is the Dimer Required for Catalytic Activity?, J. Chem. Theory Comput., 3, 278-288.
  • C. R. W. Guimarães, G. Barreiro, C. A. F. Oliveira and R. Bicca de Alencastro, On the Application of Simple Explicit Water Models to the Simulations of Biomolecules, Braz. J. Phys., 34(1), 126-136, 2004.
  • D.L. Beveridge, S. B. Dixit, K. Suzie Byun, G. Barreiro, K. M. Thayer, and S. Ponomarev, Molecular Dynamics Simulations of DNA Curvature and Flexibility: Dynamical Aspects of Helix Phasing and Premelting Phenomena, Axis Curvature, and Structural Bioinformatics, Nucleic Acids: Curvature and Deformation, 884, 13-64, 2004.
  • D. L. Beveridge, G. Barreiro, K. S.uzie Byun, David A. Case, T. E. Cheatham, III, S. B. Dixit, E. Giudice, F. Lankas, R. Lavery, J. H. Maddocks, R. Osman, E. Seibert,, Molecular Dynamics Simulations of the 136 Unique Tetranucleotide Sequences of DNA Oligonucleotides. I. Research Design and Results on d(CpG) Steps, Biophys. J., 87, 3799-3813, 2004.
  • C. A. F. Oliveira, C. R. W. Guimarães, G. Barreiro and R. Bicca de Alencastro, 4. Investigation of the Induced-Fit Mechanism and Catalytic Activity of the Human Cytomegalovirus Protease Homodimer via Molecular Dynamics Simulations, Proteins: Structure, Function and Genetics, 52, 483-491, 2003.
  • R. Bicca de Alencastro, M.G. Albuquerque, O. A. Santos Filho, C. R. W. Guimarães, G. Barreiro, N. C. Romeiro, R. C. A. Martins and C. A. F. Oliveira, Metodologias em Modelagem Molecular de Biomoléculas, A Arte de Vencer Desafios: Um Tributo à Claudio Costa Neto, 29-41, 2002.
  • G. Barreiro, C. R. W. Guimarães and R. Bicca de Alencastro, A Molecular Dynamics Study of an L-Type Calcium Channel Model, Protein Eng., 15(2), 109-122, 2002.
  • G. Barreiro, C. R. W. Guimarães, R. Bicca de Alencastro and E. J. Barreiro, A New Nicotinic Acetylcholine Minireceptor Model: A Theoretical Thermodynamic Analysis of Simultaneous Cation-pi and Hydrogen Bond Interactions, J. Mol. Struct. (Theochem), 532(1-3), 11-22, 2000.
  • G. Barreiro, J. D. da Motta Neto and R. Bicca de Alencastro, 9. A Semiempirical Study on Leupeptin, an Inhibitor of Cysteine Proteases, Int. J. Quantum Chem.: Quantum Biol. Symp., 65(6), 1125-1134, 1997.
  • G. Barreiro, C. R. W. Guimarães and R. Bicca de Alencastro, 5. Potential of Mean Force Calculations on an L-Type Calcium Channel Model, Protein Eng., 16(3), 209-215, 2003.
  • C. M. R. de Sant'Anna, R. Bicca de Alencastro, C. R. Rodrigues, G. Barreiro, E. J. Barreiro, J. D. da Motta Neto and A. C. C. Freitas, A Semiempirical Study of Pyrazole Acylhydrazones as Potential Antimalarial Agents, Int. J. Quantum Chem.: Quantum Biol. Symp., 60(8), 1835-1843, 1996.
  • D. L. Beveridge, S. B. Dixit, G.Barreiro, and K. M. Thayer, Molecular dynamics simulations of DNA curvature and flexibility: Helix phasing and premelting, Biopolymers, 73(3), 380-403, 2004.

Profile Details

Last Verified: 6/12/2007

COS Expertise ID #1158937
Reference this profile directly: http://myprofile.cos.com/gbarreiro