Communications
.
23. First-Principles Computational Enzymology and QM/MM Insights into the Study of the Farnesyltransferase Enzyme
Sérgio F. Sousa, Pedro A. Fernandes, Maria João Ramos
Introduction to Gaussian 09: Theory and Practice
Ulm, Germany, July, 2009.
22. The Search for the Mechanism in the Reaction Catalyzed by the Enzyme Farnesyltransferase
Sérgio F. Sousa
4th Symposium on Theoretical Biophysics (TheoBio-09)
Roscoff, France, June 2009.
Note: Invited Oral Communication
21. Computational Studies on Farnesyltransferase - Atomic Level Portrait of a Puzzling Enzyme
Sérgio F. Sousa
9.º Encontro Nacional de Química-Física
Aveiro, Portugal, June 2009.
Note: Selected Oral Communication
20. The Carboxylate-Shift Mechanism in Zinc Enzymes: Farnesyltransferase as an Example
Sérgio F. Sousa
3th Symposium on Theoretical Biophysics (TheoBio-07)
Cetraro, Italy, June 2007.
Note: Invited Oral Communication
19. Theoretical Studies on the Catalytic Mechanism of the Farnesyltransferase Enzyme
Sérgio F. Sousa, Pedro A. Fernandes e Maria João Ramos.
Quantum Pharmacology – 30 years on. A Special Conference in Honor of Professor W. Graham Richards.
Oxford, United Kingdom, September 2006.
18. Protein Farnesyltransferase: Catalytic Portrait of a Zn Enzyme – A Computational Approach
Sérgio F. Sousa, Pedro A. Fernandes e Maria João Ramos.
8th European Biological Chemistry Conference (EUROBIC 8)
Aveiro, Portugal, July 2006.
17. Protein Farnesyltransferase: Catalytic Portrait of a Zn Enzyme – A Computational Approach
Sérgio F. Sousa, Pedro A. Fernandes e Maria João Ramos.
EUROBIC 8 Young Researchers Forum (YRF)
Aveiro, Portugal, July 2006.
16. Theoretical Studies on Farnesyltransferase: A Paradoxical Zinc Enzyme
Sérgio F. Sousa, Pedro A. Fernandes e Maria João Ramos.
4.º Encontro REQUIMTE
Fátima, Portugal, March 2006.
15. Solving the Catalytic Mechanism of the Puzzling Metallo-Enzyme Farnesyl transferase: DFT, ONIOM, and AMBER Studies
Sérgio F. Sousa, Pedro A. Fernandes e Maria João Ramos.
FEBS Advanced Course: Theoretical Modelling of Ligand Binding and Enzymatic Catalysis
Tromso, Norway, October 2005.
Notes: Selected Oral Presentation
14. Farnesyltransferase – Unveiling the Catalytic Mechanism of a Puzzling Enzyme: A Theoretical Study
Sérgio F. Sousa, Pedro A. Fernandes e Maria João Ramos.
Biomolecular Simulations: From Prediction to Practice
Dublin, Ireland, September 2005.
13. Computational Studies on Zinc Enzymes: The Farnesyltransferase Case
Sérgio F. Sousa, Pedro A. Fernandes e Maria João Ramos.
Biomolecular Simulations, Satellite Meeting of the International Biophysics Congress
Bordeaux, France, September 2005.
12. Determination of 3 Sets of Parameters for the Molecular Modelling of the Farnesyltransferase Enzyme
Sérgio F. Sousa, Pedro A. Fernandes e Maria João Ramos.
The World of Biophysics, Joint 15th IUPAB and 5th EBSA International Biophysics Congress, Montpellier, France, August 2005.
11. The Carboxylate-Shift in FTase – Analysing an Intriguing Mechanistic Feature in a Puzzling Enzyme
Sérgio F. Sousa, Pedro A. Fernandes e Maria João Ramos.
The World of Biophysics, Joint 15th IUPAB and 5th EBSA International Biophysics Congress
Montpellier, France, August 2005.
10. Molecular Modeling of Protein Farnesyltransferase – Analyzing a Critical Mechanistic Paradox
Sérgio F. Sousa, Pedro A. Fernandes e Maria João Ramos.
Bio-Image Summer School
Paris, France, July 2005.
9. Farnesyltransferase – Theoretical Study of an Enigmatic Enzyme
Sérgio F. Sousa, Pedro A. Fernandes e Maria João Ramos.
Quantum Chemistry Applied: From H3 to Catalysis. A Special Conference in Honor of Professor Per E. M. Siegbahn
Stockholm, Sweden, June 2005.
8. Análise de Comprimentos de Ligação Atípicos Zinco-Oxigénio em Proteínas
Bruno Tamames, Juan Tamames, Sérgio F. Sousa, Pedro A. Fernandes e Maria João Ramos
7.º Encontro Nacional de Química-Fisica.
Porto, Portugal, May 2005.
7. Farnesiltransferase: Modelação Molecular no Combate ao Cancro
Sérgio F. Sousa, Pedro A. Fernandes e Maria João Ramos.
7.º Encontro Nacional de Química-Fisica.
Porto, Portugal, May 2005.
Notes: 2nd Award in the Best Poster Contest
6. Protein Farnesyltransferase - Mechanistic Portrait of a Puzzling Enzyme
Sérgio F. Sousa, Pedro A. Fernandes and Maria João Ramos.
VIth European Symposium of the Protein Society.
Barcelona, Spain, May 2005.
5. Farnesyltransferase: Theoretical Studies on Substrate Peptide Entrance: Thiol or Thiolate Coordination?
Sérgio F. Sousa, Pedro A. Fernandes and Maria João Ramos.
3rd Portuguese-Spanish Biophysics Congress.
Lisbon, Portugal, October 2004.
4. Farnesiltransferase: Estudo Teórico da Esfera de Coordenação do Zinco: Evidências para um Mecanismo de Carboxylate-Shift
Sérgio F. Sousa, Pedro A. Fernandes and Maria João Ramos.
QUITEL 2004 - XXX Congresso Internacional de Químicos Teóricos de Expressão Latina.
Porto, Portugal, September 2004.
3. Theoretical Studies on Farnesyltransferase - A New Anti-cancer Target
Sérgio F. Sousa, Pedro A. Fernandes and Maria João Ramos.
3.º Encontro REQUIMTE.
Fátima, Portugal, January 2004.
2. Theoretical Studies on Cytochrome P450 1A2
Maria João Ramos, Rute da Fonseca, Sérgio F. Sousa e André Melo.
17th Symposium of The Protein Society.
Boston, U.S.A., July 2003.
1. Theoretical Studies on Cytochromes P450
Rute da Fonseca, Sérgio F. Sousa e Maria João Ramos.
Modelling chemical reactivity: from gas-phase to solution and enzymes.
Nancy, France, July 2003.