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Outra Publicação em Revista Científica Internacional

Inside Cover: The Catalytic Mechanism of the Marine-Derived Macrocyclase PatGmac (Chem. Eur. J. 37/2016)
Natercia F Bras (Autor) (FCUP); Ferreira, P (Autor) (Outra); Calixto, AR (Autor) (Outra); Jaspars, M (Autor) (Outra); Houssen, W (Autor) (Outra); Naismith, JH (Autor) (Outra); Pedro A Fernandes (Autor) (FCUP); Ramos, MJ (Autor) (FCUP)
HMG-CoA Reductase inhibitors: an updated review of patents of novel compounds and formulations (2011-2015)
Oliveira, EF (Autor) (Outra); Santos Martins, D (Autor) (Outra); Ribeiro, AM (Autor) (Outra); Natercia F Bras (Autor) (FCUP); Nuno M F S A Cerqueira (Autor) (FCUP); Sergio Filipe Sousa (Autor) (FCUP); Ramos, MJ (Autor) (FCUP); Pedro A Fernandes (Autor) (FCUP)

Outras Publicações

Improving the study of proton transfers between amino acid side chains in solution: choosing appropriate DFT functionals and avoiding hidden pitfalls (vol 131, pg 1179, 2012)
Pedro J Silva (Autor) (Outra); Marta A S Perez (Autor) (Outra); Natercia F Bras (Autor) (FCUP); Pedro A Fernandes (Autor) (FCUP); Ramos, MJ (Autor) (FCUP)
Corrigendum: The Catalytic Mechanism of the Marine-Derived Macrocyclase PatGmac (Chem. Eur. J., (2016), 22, (13089¿13097), 10.1002/chem.201601670)
Natercia F Bras (Autor) (FCUP); Ferreira P. (Autor) (Outra); Calixto A.R. (Autor) (Outra); Jaspars M. (Autor) (Outra); Houssen W. (Autor) (Outra); Naismith J.H. (Autor) (Outra); Pedro A Fernandes (Autor) (FCUP); Ramos, MJ (Autor) (FCUP)

Artigo em Revista Científica Internacional

Virtual screening and QSAR study of some pyrrolidine derivatives as alpha-mannosidase inhibitors for binding feature analysis
Moorthy, NSHN (Autor) (Outra); Natercia F Bras (Autor) (FCUP); Maria J Ramos (Autor) (FCUP); Pedro A Fernandes (Autor) (FCUP)
Understanding the Binding of Procyanidins to Pancreatic Elastase by Experimental and Computational Methods
Natercia F Bras (Autor) (Outra); Rui Goncalves (Autor) (Outra); Pedro A Fernandes (Autor) (FCUP); Nuno Mateus (Autor) (FCUP); Maria Joao Ramos (Autor) (FCUP); Victor de Freitas (Autor) (FCUP)
The Catalytic Mechanism of the Marine-Derived Macrocyclase PatGmac
Natercia F Bras (Autor) (FCUP); Ferreira, P (Autor) (Outra); Calixto, AR (Autor) (Outra); Jaspars, M (Autor) (Outra); Houssen, W (Autor) (Outra); Naismith, JH (Autor) (Outra); Pedro A Fernandes (Autor) (FCUP); Ramos, MJ (Autor) (FCUP)
Synthesis and structural characterization, by spectroscopic and computational methods, of two fluorescent 3-hydroxy-4-pyridinone chelators bearing sulphorhodamine B and naphthalene
Moniz, T (Autor) (Outra); Coimbra, JTS (Autor) (Outra); Natercia F Bras (Autor) (FCUP); Cunha Silva, L (Autor) (FCUP); Ramos, MJ (Autor) (FCUP); Pedro A Fernandes (Autor) (FCUP); de Castro, B (Autor) (FCUP); Maria Rangel (Autor) (ICBAS)
Parametrization of Molybdenum Cofactors for the AMBER Force Field
Ferreira, P (Autor) (Outra); Nuno M F S A Cerqueira (Autor) (FCUP); Natercia F Bras (Autor) (FCUP); Pedro A Fernandes (Autor) (FCUP); Ramos, MJ (Autor) (FCUP)
Molecular determinants of ligand specificity in family 11 carbohydrate binding modules - an NMR, X-ray crystallography and computational chemistry approach
Aldino Viegas (Autor) (Outra); Natercia F Bras (Autor) (Outra); Nuno M F S A Cerqueira (Autor) (FCUP); Pedro Alexandrino Fernandes (Autor) (FCUP); Jose A M Prates (Autor) (Outra); Carlos M G A Fontes (Autor) (Outra); Marta Bruix (Autor) (Outra); Maria Joao Romao (Autor) (Outra); Ana Luisa Carvalho (Autor) (Outra); Maria Joao Ramos (Autor) (FCUP); Anjos L Macedo (Autor) (Outra); Eurico J Cabrita (Autor) (Outra)
Membrane partition of bis-(3-hydroxy-4pyridinonato) zinc(ii) complexes revealed by molecular dynamics simulations
Coimbra, JTS (Autor) (Outra); Natercia F Bras (Autor) (FCUP); Pedro A Fernandes (Autor) (FCUP); Maria Rangel (Autor) (ICBAS); Ramos, MJ (Autor) (FCUP)
Mechanistic Studies on the Formation of Glycosidase-Substrate and Glycosidase-Inhibitor Covalent Intermediates
Natercia F Bras (Autor) (Outra); Sara A Moura Tamames (Autor) (Outra); Pedro A Fernandes (Autor) (FCUP); Maria J Ramos (Autor) (FCUP)
Mechanistic Pathway on Human alpha-Glucosidase Maltase-Glucoamylase Unveiled by QM/MM Calculations
Natercia F Bras (Autor) (FCUP); Santos Martins, D (Autor) (Outra); Pedro A Fernandes (Autor) (FCUP); Ramos, MJ (Autor) (FCUP)
Mechanistic Insights on Human Phosphoglucomutase Revealed by Transition Path Sampling and Molecular Dynamics Calculations
Natercia F Bras (Autor) (FCUP); Pedro A Fernandes (Autor) (FCUP); Ramos, MJ (Autor) (FCUP); Schwartz, SD (Autor) (Outra)
MADAMM: A multistaged docking with an automated molecular modeling protocol
Cerqueira, NMFSA (Autor) (FCUP); Bras, NF (Autor) (Outra); Fernandes, PA (Autor) (FCUP); Ramos, MJ (Autor) (FCUP)
Insights into the reaction mechanism of 3-O-sulfotransferase through QM/MM calculations
Sousa, RP (Autor) (Outra); Pedro A Fernandes (Autor) (FCUP); Ramos, MJ (Autor) (FCUP); Natercia F Bras (Autor) (FCUP)
Inhibition of Pancreatic Elastase by Polyphenolic Compounds
Natercia F Bras (Autor) (Outra); Rui Goncalves (Autor) (Outra); Nuno Mateus (Autor) (FCUP); Pedro A Fernandes (Autor) (FCUP); Maria Joao Ramos (Autor) (FCUP); Victor Do Freitas (Autor) (FCUP)
Improving the study of proton transfers between amino acid side chains in solution: choosing appropriate DFT functionals and avoiding hidden pitfalls
Pedro J Silva (Autor) (Outra); Marta A S Perez (Autor) (Outra); Natercia F Bras (Autor) (FCUP); Pedro A Fernandes (Autor) (FCUP); Ramos, MJ (Autor) (FCUP)

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