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Publications with the same authors as the The catalytic mechanism of mouse renin studied with QM/MM calculations publication

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Another Publication in an International Scientific Journal

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

Other Publications

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 (Author) (Other); Marta A S Perez (Author) (Other); Natercia F Bras (Author) (FCUP); Pedro A Fernandes (Author) (FCUP); Ramos, MJ (Author) (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 (Author) (FCUP); Ferreira P. (Author) (Other); Calixto A.R. (Author) (Other); Jaspars M. (Author) (Other); Houssen W. (Author) (Other); Naismith J.H. (Author) (Other); Pedro A Fernandes (Author) (FCUP); Ramos, MJ (Author) (FCUP)
2021
Indexing

Article in International Scientific Journal

Virtual screening and QSAR study of some pyrrolidine derivatives as alpha-mannosidase inhibitors for binding feature analysis
Moorthy, NSHN (Author) (Other); Natercia F Bras (Author) (FCUP); Maria J Ramos (Author) (FCUP); Pedro A Fernandes (Author) (FCUP)
Understanding the Binding of Procyanidins to Pancreatic Elastase by Experimental and Computational Methods
Natercia F Bras (Author) (Other); Rui Goncalves (Author) (Other); Pedro A Fernandes (Author) (FCUP); Nuno Mateus (Author) (FCUP); Maria Joao Ramos (Author) (FCUP); Victor de Freitas (Author) (FCUP)
The Catalytic Mechanism of the Marine-Derived Macrocyclase PatGmac
Natercia F Bras (Author) (FCUP); Ferreira, P (Author) (Other); Calixto, AR (Author) (Other); Jaspars, M (Author) (Other); Houssen, W (Author) (Other); Naismith, JH (Author) (Other); Pedro A Fernandes (Author) (FCUP); Ramos, MJ (Author) (FCUP)
2016
Indexing
Synthesis and structural characterization, by spectroscopic and computational methods, of two fluorescent 3-hydroxy-4-pyridinone chelators bearing sulphorhodamine B and naphthalene
Moniz, T (Author) (Other); Coimbra, JTS (Author) (Other); Natercia F Bras (Author) (FCUP); Cunha Silva, L (Author) (FCUP); Ramos, MJ (Author) (FCUP); Pedro A Fernandes (Author) (FCUP); de Castro, B (Author) (FCUP); Maria Rangel (Author) (ICBAS)
2016
Indexing
QM/MM Studies on the beta-Galactosidase Catalytic Mechanism: Hydrolysis and Transglycosylation Reactions
Natercia F Bras (Author) (Other); Pedro A Fernandes (Author) (FCUP); Maria J Ramos (Author) (FCUP)
Parametrization of Molybdenum Cofactors for the AMBER Force Field
Ferreira, P (Author) (Other); Nuno M F S A Cerqueira (Author) (FCUP); Natercia F Bras (Author) (FCUP); Pedro A Fernandes (Author) (FCUP); Ramos, MJ (Author) (FCUP)
2018
Indexing
Molecular determinants of ligand specificity in family 11 carbohydrate binding modules - an NMR, X-ray crystallography and computational chemistry approach
Aldino Viegas (Author) (Other); Natercia F Bras (Author) (Other); Nuno M F S A Cerqueira (Author) (FCUP); Pedro Alexandrino Fernandes (Author) (FCUP); Jose A M Prates (Author) (Other); Carlos M G A Fontes (Author) (Other); Marta Bruix (Author) (Other); Maria Joao Romao (Author) (Other); Ana Luisa Carvalho (Author) (Other); Maria Joao Ramos (Author) (FCUP); Anjos L Macedo (Author) (Other); Eurico J Cabrita (Author) (Other)
Membrane partition of bis-(3-hydroxy-4pyridinonato) zinc(ii) complexes revealed by molecular dynamics simulations
Coimbra, JTS (Author) (Other); Natercia F Bras (Author) (FCUP); Pedro A Fernandes (Author) (FCUP); Maria Rangel (Author) (ICBAS); Ramos, MJ (Author) (FCUP)
2018
Indexing
Mechanistic Studies on the Formation of Glycosidase-Substrate and Glycosidase-Inhibitor Covalent Intermediates
Natercia F Bras (Author) (Other); Sara A Moura Tamames (Author) (Other); Pedro A Fernandes (Author) (FCUP); Maria J Ramos (Author) (FCUP)
Mechanistic Pathway on Human alpha-Glucosidase Maltase-Glucoamylase Unveiled by QM/MM Calculations
Natercia F Bras (Author) (FCUP); Santos Martins, D (Author) (Other); Pedro A Fernandes (Author) (FCUP); Ramos, MJ (Author) (FCUP)
2018
Indexing
Mechanistic Insights on Human Phosphoglucomutase Revealed by Transition Path Sampling and Molecular Dynamics Calculations
Natercia F Bras (Author) (FCUP); Pedro A Fernandes (Author) (FCUP); Ramos, MJ (Author) (FCUP); Schwartz, SD (Author) (Other)
2018
Indexing
MADAMM: A multistaged docking with an automated molecular modeling protocol
Cerqueira, NMFSA (Author) (FCUP); Bras, NF (Author) (Other); Fernandes, PA (Author) (FCUP); Ramos, MJ (Author) (FCUP)
Insights into the reaction mechanism of 3-O-sulfotransferase through QM/MM calculations
Sousa, RP (Author) (Other); Pedro A Fernandes (Author) (FCUP); Ramos, MJ (Author) (FCUP); Natercia F Bras (Author) (FCUP)
2016
Indexing
Inhibition of Pancreatic Elastase by Polyphenolic Compounds
Natercia F Bras (Author) (Other); Rui Goncalves (Author) (Other); Nuno Mateus (Author) (FCUP); Pedro A Fernandes (Author) (FCUP); Maria Joao Ramos (Author) (FCUP); Victor Do Freitas (Author) (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 (Author) (Other); Marta A S Perez (Author) (Other); Natercia F Bras (Author) (FCUP); Pedro A Fernandes (Author) (FCUP); Ramos, MJ (Author) (FCUP)

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