FEUP - Publicações com os mesmos autores da publicação Special Issue on "The Application of Quantum Mechanics in Reactivity of Molecules"

Virtual screening of compound libraries.

Cerqueira, NM (Autor) (FCUP); Sousa, SF (Autor) (FCUP); Fernandes, PA (Autor) (FCUP); Ramos, MJ (Autor) (FCUP)

2009

Indexação

Unraveling the mechanism of the farnesyltransferase enzyme

Sousa, SF (Autor) (Outra); Fernandes, PA (Autor) (FCUP); Ramos, MJ (Autor) (FCUP)

2005

Classificação Científica Indexação

Theoretical studies on farnesyltransferase: The distances paradox explained

Sergio Filipe Sousa (Autor) (Outra); Pedro Alexandrino Fernandes (Autor) (FCUP); Maria Joao Ramos (Autor) (FCUP)

2007

Classificação Científica Indexação

Structural and mechanistic aspects of S-S bonds in the thioredoxin-like family of proteins

Sergio Filipe Sousa (Autor) (FCUP); Neves, RPP (Autor) (FCUP); Waheed, SO (Autor) (Outra); Pedro A Fernandes (Autor) (FCUP); Ramos, MJ (Autor) (FCUP)

2019

Indexação

Protein-ligand docking: Current status and future challenges

Sergio Filipe Sousa (Autor) (Outra); Pedro Alexandrino Fernandes (Autor) (FCUP); Maria Joao Ramos (Autor) (FCUP)

2006

Classificação Científica Indexação

PLP-dependent enzymes as important biocatalysts for the pharmaceutical, chemical and food industries: a structural and mechanistic perspective

Rocha, JF (Autor) (Outra); Pina, AF (Autor) (Outra); Sergio Filipe Sousa (Autor) (FCUP); Nuno M F S A Cerqueira (Autor) (FCUP)

2019

Indexação

Perspectives on the Role of Enzymatic Biocatalysis for the Degradation of Plastic PET

Magalhaes, RP (Autor) (Outra); Cunha, JM (Autor) (Outra); Sergio Filipe Sousa (Autor) (FCUP)

2021

Indexação

Multifunctional Enzymes as Targets for the Treatment of Tuberculosis: Paving the Way for New Anti-TB Drugs

Teixeira, CSS (Autor) (Outra); Cerqueira, NMFSA (Autor) (Outra); Sergio Filipe Sousa (Autor) (FCUP)

2021

Indexação

Modelling Enzymatic Mechanisms with QM/MM Approaches: Current Status and Future Challenges

Magalhaes, RP (Autor) (Outra); Fernandes, HS (Autor) (Outra); Sergio Filipe Sousa (Autor) (FCUP)

2020

Indexação

LegionellaDB - A Database on Legionela Outbreaks

Goncalves, IG (Autor) (Outra); Fernandes, HS (Autor) (Outra); Melo, A (Autor) (Outra); Sergio Filipe Sousa (Autor) (FCUP); Simoes, LC (Autor) (Outra); Simoes, M (Autor) (Outra); Simões M (Autor) (FEUP)

2021

Indexação

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)

2016

Indexação

General performance of density functionals

Sergio Filipe Sousa (Autor) (Outra); Pedro Alexandrino Fernandes (Autor) (FCUP); Maria Joao Ramos (Autor) (FCUP)

2007

Classificação Científica Indexação

Formation of Unstable and very Reactive Chemical Species Catalyzed by Metalloenzymes: A Mechanistic Overview

Fernandes, HS (Autor) (Outra); Teixeira, CSS (Autor) (Outra); Sergio Filipe Sousa (Autor) (FCUP); Nuno M F S A Cerqueira (Autor) (FCUP)

2019

Indexação

Farnesyltransferase inhibitors: A detailed chemical view on an elusive biological problem

Sergio F Sousa (Autor) (FCUP); Pedro A Fernandes (Autor) (FCUP); Maria Joao Ramos (Autor) (FCUP)

2008

Classificação Científica Indexação

Effective tailor-made force field parameterization of the several Zn coordination environments in the puzzling FTase enzyme: opening the door to the full understanding of its elusive catalytic mechanism

Sergio Filipe Sousa (Autor) (Outra); Pedro Alexandrino Fernandes (Autor) (FCUP); Maria Joao Ramos (Autor) (FCUP)

2007

Classificação Científica Indexação

Editorial: The Chemistry of Biofilms and Their Inhibitors

Sergio Filipe Sousa (Autor) (FCUP); Simoes, M (Autor) (Outra); Filipovic, N (Autor) (Outra)

2020

Indexação

Direct Covalent Modification as a Strategy to Inhibit Nuclear Factor-Kappa B

Pande, V (Autor) (Outra); Sousa, SF (Autor) (FCUP); Ramos, MJ (Autor) (FCUP)

2009

Classificação Científica Indexação

Comparative Analysis of the Performance of Commonly Available Density Functionals in the Determination of Geometrical Parameters for Zinc Complexes

Sergio F Sousa (Autor) (FCUP); Emanuela S Carvalho (Autor) (Outra); Diana M Ferreira (Autor) (Outra); Isabel S Tavares (Autor) (Outra); Pedro A Fernandes (Autor) (FCUP); Maria Joao Ramos (Autor) (FCUP); Jose A N F Gomes (Autor) (FCUP)

2009

Classificação Científica Indexação

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

Sergio F Sousa (Autor) (FCUP); Gaspar R P Pinto (Autor) (Outra); Antonio J M Ribeiro (Autor) (Outra); Joao T S Coimbra (Autor) (Outra); Pedro A Fernandes (Autor) (FCUP); Maria Joao Ramos (Autor) (FCUP)

2013

Classificação Científica Indexação

An Atomic-Level Perspective of HMG-CoA-Reductase: The Target Enzyme to Treat Hypercholesterolemia

Gesto, DS (Autor) (Outra); Pereira, CMS (Autor) (Outra); Nuno M F S A Cerqueira (Autor) (FCUP); Sergio Filipe Sousa (Autor) (FCUP)

2020

Indexação

Publicações com os mesmos autores da publicação Special Issue on "The Application of Quantum Mechanics in Reactivity of Molecules"

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