Sergio Filipe Sousa
Computational Chemistry
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Book Chapters


7. Molecular Dynamics Analysis of FAAH Complexed with Anandamide
Sergio F. Sousa, JTS Coimbra, PA Fernandes PA, T Marino, MJ Ramos, N Russo
Frontiers in Quatum Methods and Applications in Chemistry and Physics
Book Series: Progress in Theoretical Chemistry and Physics
Volume: 29 Pages: 114-130
DOI: 10.1007/978-3-319-14397-2_7
Published: 2015


6. Protein Ligand Docking in Drug Discovery
Natercia F. Bras, Nuno M. F. S. A. Cerqueira, Sergio F. Sousa, Pedro A. Fernandes, Maria Joao Ramos
in Protein Modelling, Computational Approaches to Biochemical Reactivity, Ed. Gabor Naray-Szabo
Springer-Verlag 2015


5. A Quimica Computacional e os Medicamentos
Sergio F. Sousa, Silvia Martins, Pedro A. Fernandes, Maria Joao Ramos
in A Quimica do Dia-a-Dia, Ed. Joao Sotomayor
Gradiva, (in press)


4. Computational Studies on the Mechanism of Farnesyltransferase
Sergio F. Sousa, Pedro A. Fernandes, Maria Joao Ramos
in Computational studies of enzyme mechanisms, Ed. A. Mulholland
Encyclopedia of Biophysics, Springer (2012)

3. Molecular Dynamics Simulations: Difficulties, Solutions and Strategies for Treating Metalloenzymes
Sergio F. Sousa, Pedro A. Fernandes, Maria Joao Ramos
in Kinetics and Dynamics: from Nano- to Bio-Scale, Ed. P. Paneth and A. Dybala-Defratyka
Challenges and Advances in Computational Chemistry and Physics Series, Springer, Vol. 12, 299-330, (2010)
(DOI: 10.1007/978-90-481-3034-4_11)

2. Virtual Screening of Compound Libraries
Nuno M. F. S. A. Cerqueira, Sergio F. Sousa, Pedro A. Fernandes, Maria Joao Ramos
in Ligand Macromolecular Interactions in Drug Discovery, Ed. A. C. Roque
Methods in Molecular Biology Series, Humana Press Inc., Vol. 572, 57-70, (2010)
(DOI: 10.1007/978-1-60761-244-5_4)

1. The Ins and Outs of QM/MM Calculations: Current Status and Future Challenges
Sergio F. Sousa, Maria Joao Ramos
in Computational Proteomics; Ed. MJ Ramos
Transworld Research Network
Kerala, India (2008)





Conference Proceedings

3. Computational Proteomics - from methodological developments to biological applications
Irina S. Moreira, Natercia F. Bras, Alexandra T. P. Carvalho, Nuno M. F. S. A. Cerqueira, Daniel F. Dourado, Marta A. S. Perez, Antonio J. M. Ribeiro, Sergio F. Sousa, Pedro A. Fernandes, Maria J. Ramos
Academia Ciencias de Lisboa (2011)

2. Recent Advances on Computational Proteomics
Sergio F. Sousa, Nuno M. F. S. A. Cerqueira, Marta A. S. Perez, Irina S. Moreira, Antonio J. M. Ribeiro, Ana R. A. P. Neves, Maria J. Ramos and Pedro A. Fernandes
Proceedings of the WASET Conference, Singapore, August 2009
World Academy of Science, Engineering and Technology, Vol. 56, pp. 376-386, (2009)

1. What a Computer can do in Biological Chemistry?
P. A. Fernandes, S. F. Sousa, N. M. F. S. A. Cerqueira, and M. J. Ramos
Proceedings of the 2nd European Conference on Chemistry for Life Sciences, Wroclaw (Poland), 4-8 September 2007.




Thesis


Theoretical Studies on the Catalytic and Inhibition Mechanisms of the Farnesyltransferase Enzyme
Sergio F. Sousa
Departamento de Quimica, Faculdade de Ciencias, Universidade do Porto (Portugal), 2007
PhD Thesis


Theoretical Studies on Cythocromes P450
Sergio F. Sousa
Departamento de Quimica, Faculdade de Ciencias da Universidade do Porto, 2003
Tese de Licenciatura em Quimica
Classification: 19/20