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Publications with the same authors as the Molecular Dynamics Simulations: Difficulties, Solutions and Strategies for Treating Metalloenzymes publication

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Another Publication in an International Scientific Journal

Virtual screening of compound libraries.
Cerqueira, NM (Author) (FCUP); Sousa, SF (Author) (FCUP); Fernandes, PA (Author) (FCUP); Ramos, MJ (Author) (FCUP)
2009
Indexing
Unraveling the mechanism of the farnesyltransferase enzyme
Sousa, SF (Author) (Other); Fernandes, PA (Author) (FCUP); Ramos, MJ (Author) (FCUP)
Theoretical studies on farnesyltransferase: The distances paradox explained
Sergio Filipe Sousa (Author) (Other); Pedro Alexandrino Fernandes (Author) (FCUP); Maria Joao Ramos (Author) (FCUP)
Structural and mechanistic aspects of S-S bonds in the thioredoxin-like family of proteins
Sergio Filipe Sousa (Author) (FCUP); Neves, RPP (Author) (FCUP); Waheed, SO (Author) (Other); Pedro A Fernandes (Author) (FCUP); Ramos, MJ (Author) (FCUP)
2019
Indexing
Protein-ligand docking: Current status and future challenges
Sergio Filipe Sousa (Author) (Other); Pedro Alexandrino Fernandes (Author) (FCUP); Maria Joao Ramos (Author) (FCUP)
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
General performance of density functionals
Sergio Filipe Sousa (Author) (Other); Pedro Alexandrino Fernandes (Author) (FCUP); Maria Joao Ramos (Author) (FCUP)
Farnesyltransferase inhibitors: A detailed chemical view on an elusive biological problem
Sergio F Sousa (Author) (FCUP); Pedro A Fernandes (Author) (FCUP); Maria Joao Ramos (Author) (FCUP)
Comparative Analysis of the Performance of Commonly Available Density Functionals in the Determination of Geometrical Parameters for Zinc Complexes
Sergio F Sousa (Author) (FCUP); Emanuela S Carvalho (Author) (Other); Diana M Ferreira (Author) (Other); Isabel S Tavares (Author) (Other); Pedro A Fernandes (Author) (FCUP); Maria Joao Ramos (Author) (FCUP); Jose A N F Gomes (Author) (FCUP)
Comparative analysis of the performance of commonly available density functionals in the determination of geometrical parameters for copper complexes
Sergio F Sousa (Author) (FCUP); Gaspar R P Pinto (Author) (Other); Antonio J M Ribeiro (Author) (Other); Joao T S Coimbra (Author) (Other); Pedro A Fernandes (Author) (FCUP); Maria Joao Ramos (Author) (FCUP)

Chapter or Part of a Book

Virtual Screening of Compound Libraries
Nuno M. F. S. A. Cerqueira (Author) (FCUP); Sérgio F. Sousa (Author) (FCUP); Pedro A. Fernandes (Author) (FCUP); Maria João Ramos (Author) (FCUP)
Molecular Dynamics Simulations: Difficulties, Solutions and Strategies for Treating Metalloenzymes
Sergio Filipe Sousa (Author) (FCUP); Pedro A Fernandes (Author) (FCUP); Ramos, MJ (Author) (FCUP)
2010
Indexing

Article in International Scientific Journal

Virtual Screening in Drug Design and Development
Sergio F Sousa (Author) (FCUP); Nuno M F S A Cerqueira (Author) (FCUP); Pedro A Fernandes (Author) (FCUP); Maria Joao Ramos (Author) (FCUP)
Understanding the Catalytic Machinery and the Reaction Pathway of the Malonyl-Acetyl Transferase Domain of Human Fatty Acid Synthase
Paiva, P (Author) (Other); Sergio Filipe Sousa (Author) (FCUP); Ramos, MJ (Author) (FCUP); Pedro A Fernandes (Author) (FCUP)
2018
Indexing
Theoretical studies on farnesyltransferase: Evidence for thioether product coordination to the active-site zinc sphere
Sergio Filipe Sousa (Author) (Other); Pedro Alexandrino Fernandes (Author) (FCUP); Maria Joao Ramos (Author) (FCUP)
The Zinc proteome: a tale of stability and functionality
Sergio Filipe Sousa (Author) (FCUP); Ana Branca Lopes (Author) (Other); Pedro Alexandrino Fernandes (Author) (FCUP); Maria Joao Ramos (Author) (FCUP)
The Search for the Mechanism of the Reaction Catalyzed by Farnesyltransferase
Sergio Filipe Sousa (Author) (FCUP); Pedro Alexandrino Fernandes (Author) (FCUP); Maria Joao Ramos (Author) (FCUP)
The carboxylate shift in zinc enzymes: A computational study
Sergio F Sousa (Author) (Other); Pedro A Fernandes (Author) (FCUP); Maria Joao Ramos (Author) (FCUP)
Structural feature study of benzofuran derivatives as farnesyltransferase inhibitors
Hari Narayana H N Moorthy (Author) (Other); Sergio F Sousa (Author) (FCUP); Maria J Ramos (Author) (FCUP); Pedro A Fernandes (Author) (FCUP)

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