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Another Publication in an International Scientific Journal

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 (Author) (Other); Pedro Alexandrino Fernandes (Author) (FCUP); Maria Joao Ramos (Author) (FCUP)

2007

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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)

2013

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Article in International Scientific Journal

Vibrational analysis of small species in the liquid phase by a combined density functional theory and polarizable continuum method

Magalhaes, AL (Author) (FCUP); Pinto, ASS (Author) (Other)

2003

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Vibrational analysis of small species in liquid phase by a combined DFT and polarizable continuum methodolog

A.L. Magalhães (Author) (FCUP); A.S. Soares Pinto (Author) (Other)

2003

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Unravelling Hot Spots: a comprehensive computational mutagenesis study

Irina S Moreira (Author) (Other); Pedro A Fernandes (Author) (FCUP); Maria J Ramos (Author) (FCUP)

2007

Scientific classification Indexing

Theoretical study on the structure and conformational features of distally dibromo-dipropoxythiacalix[4]arene derivatives and their Zn2+ complexes

Suwattanamala, A (Author) (Other); Magalhaes, AL (Author) (FCUP); Gomes, JANF (Author) (FCUP)

2007

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Theoretical insights into the catalytic mechanism of beta-hexosaminidase

Oscar Passos (Author) (Other); Pedro Alexandrino Fernandes (Author) (FCUP); Maria Joao Ramos (Author) (FCUP)

2011

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The reduction of ribonucleotides catalyzed by the enzyme ribonucleotide reductase

Fernandes, PA (Author) (FCUP); Eriksson, LA (Author) (Other); Ramos, MJ (Author) (FCUP)

2002

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Protein-protein recognition: a computational mutagenesis study of the MDM2-P53 complex

Irina S Moreira (Author) (Other); Pedro A Fernandes (Author) (FCUP); Maria J Ramos (Author) (FCUP)

2008

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Preface

Nelma Moreira (Author) (FCUP); Rogério Reis (Author) (FCUP)

2013

Indexing

Preface

Fernando R Ornellas (Author) (Other); Maria Joao Ramos (Author) (FCUP)

2013

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Prediction of the Raman spectrum of the aqueous formate anion by a combined density functional theory and self-consistent-reaction-field study

Magalhaes, AL (Author) (FCUP); Madail, SRRS (Author) (Other); Ramos, MJ (Author) (FCUP)

2000

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Prediction of the Raman spectrum of aqueous formate anion by a combined DFT and SCRF study

A.L. Magalhães (Author) (FCUP); S.R.R.S. Madail (Author) (Other); M.J. Ramos (Author) (Other)

2000

Scientific classification

New designs for inhibitors of the NF-kappa B: DNA binding

Fernandes, PA (Author) (FCUP); Maia, ARR (Author) (Other); Almeida, AAS (Author) (Other); Silva, BFB (Author) (Other); Ribeiro, CMS (Author) (Other); Ribeiro, CFB (Author) (Other); Ribeiro, DSM (Author) (Other); Fonseca, DAP (Author) (Other); Henriques, ES (Author) (Other); Cunha, EMS (Author) (Other); Maia, FRNC (Author) (Other); Pereira, JAA (Author) (Other); Pacheco, JPG (Author) (Other); Ferreira, JAAD (Author) (Other); Matos, LRC (Author) (Other); Pinto, MABP (Author) (Other); Borges, MCS (Author) (Other); Magalhaes, PJCR (Author) (Other); Teixeira, PFRD (Author) (Other); Veloso, PNBC (Author) (Other)...(mais 7 authors)

2005

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Influence of the sodium and calcium non-framework cations on the adsorption of hexane isomers in zeolite BEA

Garcia Perez, E (Author) (Other); Barcia, PS (Author) (Other); Silva, JAC (Author) (Other); Alírio Rodrigues (Author) (FEUP); Calero, S (Author) (Other)

2011

Indexing

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)

2012

Scientific classification Indexing