A. Ribeiro

发表

Enzymatic Flexibility and Reaction Rate: A QM/MM Study of HIV-1 Protease

António J. M. Ribeiro, N. Russo, P. Fernandes, 2015 .

The catalytic mechanism of HIV-1 integrase for DNA 3'-end processing established by QM/MM calculations.

António J. M. Ribeiro, P. Fernandes, M. Ramos, 2012, Journal of the American Chemical Society.

Insight into enzymatic nitrile reduction: QM/MM study of the catalytic mechanism of QueF nitrile reductase

Maria J. Ramos, Pedro A. Fernandes, Hajime Hirao, 2015 .

Total Facial Discrimination of 1,3-Dipolar Cycloadditions in a d-Erythrose 1,3-Dioxane Template: Computational Studies of a Concerted Mechanism.

Nuno M F S A Cerqueira, M. Alves, António Gil Fortes, 2017, The Journal of organic chemistry.

New insights in the catalytic mechanism of tyrosine ammonia-lyase given by QM/MM and QM cluster models.

António J. M. Ribeiro, N. Russo, M. Toscano, 2015, Archives of biochemistry and biophysics.

Synthesis and Hydrolytic Studies on the Air-Stable [(4-CN-PhO)(E)P(μ-N(t)Bu)]2 (E = O, S, and Se) Cyclodiphosphazanes.

António J. M. Ribeiro, P. Fernandes, M. Ramos, 2015, Inorganic chemistry.

Application of quantum mechanics/molecular mechanics methods in the study of enzymatic reaction mechanisms

Natércia F. Brás, António J. M. Ribeiro, P. Fernandes, 2017 .

Benchmarking of DFT Functionals for the Hydrolysis of Phosphodiester Bonds.

António J. M. Ribeiro, Pedro A Fernandes, Maria J Ramos, 2010, Journal of chemical theory and computation.

Comparative analysis of the performance of commonly available density functionals in the determination of geometrical parameters for zinc complexes

Pedro Alexandrino Fernandes, Maria João Ramos, Sérgio Filipe Sousa, 2009, J. Comput. Chem..

Protein-ligand docking in the new millennium--a retrospective of 10 years in the field.

António J. M. Ribeiro, S F Sousa, A J M Ribeiro, 2013, Current medicinal chemistry.

Benchmarking of density functionals for the kinetics and thermodynamics of the hydrolysis of glycosidic bonds catalyzed by glycosidases

António J. M. Ribeiro, P. Fernandes, M. Ramos, 2017 .

HMG-CoA Reductase inhibitors: an updated review of patents of novel compounds and formulations (2011-2015)

Natércia F. Brás, António J. M. Ribeiro, P. Fernandes, 2016, Expert opinion on therapeutic patents.

Divalent metal ion-based catalytic mechanism of the Nudix hydrolase Orf153 (YmfB) from Escherichia coli.

P. Fernandes, M. Ramos, L. Kang, 2014, Acta crystallographica. Section D, Biological crystallography.

Analyses of cobalt–ligand and potassium–ligand bond lengths in metalloproteins: trends and patterns

Natércia F. Brás, António J. M. Ribeiro, P. Fernandes, 2014, Journal of Molecular Modeling.

The catalytic mechanism of protein phosphatase 5 established by DFT calculations.

António J. M. Ribeiro, N. Russo, P. Fernandes, 2013, Chemistry.

Recent Advances on Computational Proteomics

Irina S. Moreira, Nuno M. F. S. A. Cerqueira, Sérgio F. Sousa, 2009 .

Improving the Biodesulfurization of Crude Oil and Derivatives: A QM/MM Investigation of the Catalytic Mechanism of NADH-FMN Oxidoreductase (DszD).

António J. M. Ribeiro, P. Fernandes, M. Ramos, 2016, The journal of physical chemistry. A.

Binding free energy calculations on E‐selectin complexes with sLex oligosaccharide analogs

P. Fernandes, M. Ramos, J. Alderete, 2017, Chemical biology & drug design.

Erratum to: A DFT study of the applicability of the charge balance model in two-metal enzymes: The case of cAMP-dependent protein kinase

António J. M. Ribeiro, N. Russo, P. Fernandes, 2013 .

Catalytic Mechanism of Retroviral Integrase for the Strand Transfer Reaction Explored by QM/MM Calculations.

António J. M. Ribeiro, P. Fernandes, M. Ramos, 2014, Journal of chemical theory and computation.

Unique Triphenylphosphonium Derivatives for Enhanced Mitochondrial Uptake and Photodynamic Therapy.

António J. M. Ribeiro, P. Fernandes, M. Ramos, 2017, Bioconjugate chemistry.