Sergio F. Sousa
Sergio F. Sousa
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Cited by
Cited by
General performance of density functionals
SF Sousa, PA Fernandes, MJ Ramos
The Journal of Physical Chemistry A 111 (42), 10439-10452, 2007
Protein–ligand docking: current status and future challenges
SF Sousa, PA Fernandes, MJ Ramos
Proteins: Structure, Function, and Bioinformatics 65 (1), 15-26, 2006
Protein-ligand docking in the new millennium–a retrospective of 10 years in the field
SF Sousa, AJM Ribeiro, JTS Coimbra, RPP Neves, SA Martins, N Moorthy, ...
Current medicinal chemistry 20 (18), 2296-2314, 2013
Farnesyltransferase inhibitors: a detailed chemical view on an elusive biological problem
SF Sousa, PA Fernandes, MJ Ramos
Current medicinal chemistry 15 (15), 1478-1492, 2008
The carboxylate shift in zinc enzymes: a computational study
SF Sousa, PA Fernandes, MJ Ramos
Journal of the American Chemical Society 129 (5), 1378-1385, 2007
Application of quantum mechanics/molecular mechanics methods in the study of enzymatic reaction mechanisms
SF Sousa, AJM Ribeiro, RPP Neves, NF Brás, NM Cerqueira, ...
Wiley Interdisciplinary Reviews: Computational Molecular Science 7 (2), e1281, 2017
Receptor-based virtual screening protocol for drug discovery
NM Cerqueira, D Gesto, EF Oliveira, D Santos-Martins, NF Brás, ...
Archives of biochemistry and biophysics 582, 56-67, 2015
Virtual screening in drug design and development
S F Sousa, N MFSA Cerqueira, P A Fernandes, M Joao Ramos
Combinatorial chemistry & high throughput screening 13 (5), 442-453, 2010
Analysis of zinc‐ligand bond lengths in metalloproteins: trends and patterns
B Tamames, SF Sousa, J Tamames, PA Fernandes, MJ Ramos
Proteins: Structure, Function, and Bioinformatics 69 (3), 466-475, 2007
The Zinc proteome: a tale of stability and functionality
SF Sousa, AB Lopes, PA Fernandes, MJ Ramos
Dalton Transactions, 7946-7956, 2009
Farnesyltransferase—new insights into the zinc-coordination sphere paradigm: evidence for a carboxylate-shift mechanism
SF Sousa, PA Fernandes, MJ Ramos
Biophysical journal 88 (1), 483-494, 2005
Computational alanine scanning mutagenesis: MM-PBSA vs TI
SA Martins, MAS Perez, IS Moreira, SF Sousa, MJ Ramos, PA Fernandes
Journal of chemical theory and computation 9 (3), 1311-1319, 2013
Computational enzymatic catalysis–clarifying enzymatic mechanisms with the help of computers
SF Sousa, PA Fernandes, MJ Ramos
Physical Chemistry Chemical Physics 14 (36), 12431-12441, 2012
Comparative analysis of the performance of commonly available density functionals in the determination of geometrical parameters for zinc complexes
SF Sousa, ES Carvalho, DM Ferreira, IS Tavares, PA Fernandes, ...
Journal of computational chemistry 30 (16), 2752-2763, 2009
Unraveling the mechanism of the farnesyltransferase enzyme
SF Sousa, PA Fernandes, MJ Ramos
JBIC Journal of Biological Inorganic Chemistry 10 (1), 3-10, 2005
Comparing AutoDock and Vina in ligand/decoy discrimination for virtual screening
TF Vieira, SF Sousa
Applied Sciences 9 (21), 4538, 2019
Theoretical studies on farnesyltransferase: The distances paradox explained
SF Sousa, PA Fernandes, MJ Ramos
PROTEINS: Structure, Function, and Bioinformatics 66 (1), 205-218, 2007
PLP-dependent enzymes as important biocatalysts for the pharmaceutical, chemical and food industries: a structural and mechanistic perspective
JF Rocha, AF Pina, SF Sousa, NM Cerqueira
Catalysis Science & Technology 9 (18), 4864-4876, 2019
Farnesyltransferase inhibitors: a comprehensive review based on quantitative structural analysis
N SHN Moorthy, S F Sousa, M J Ramos, P A Fernandes
Current medicinal chemistry 20 (38), 4888-4923, 2013
Study of human salivary proline-rich proteins interaction with food tannins
S Soares, I García-Estévez, R Ferrer-Galego, NF Brás, E Brandão, M Silva, ...
Food chemistry 243, 175-185, 2018
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