SPUP - 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"

Outra Publicação em Revista Científica Internacional