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Publications with the same journal as the Prediction of the Raman spectrum of the aqueous formate anion by a combined density functional theory and self-consistent-reaction-field study publication

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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)

Article in International Scientific Journal

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)
Unravelling Hot Spots: a comprehensive computational mutagenesis study
Irina S Moreira (Author) (Other); Pedro A Fernandes (Author) (FCUP); Maria J Ramos (Author) (FCUP)
Theoretical insights into the catalytic mechanism of beta-hexosaminidase
Oscar Passos (Author) (Other); Pedro Alexandrino Fernandes (Author) (FCUP); Maria Joao Ramos (Author) (FCUP)
The reduction of ribonucleotides catalyzed by the enzyme ribonucleotide reductase
Fernandes, PA (Author) (FCUP); Eriksson, LA (Author) (Other); Ramos, MJ (Author) (FCUP)
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)
Preface
Nelma Moreira (Author) (FCUP); Rogério Reis (Author) (FCUP)
2013
Indexing
Preface
Fernando R Ornellas (Author) (Other); Maria Joao Ramos (Author) (FCUP)
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)
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)
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)
Glutathione transferase A1-1: catalytic role of water
Daniel F A R Dourado (Author) (Other); Pedro Alexandrino Fernandes (Author) (FCUP); Maria Joao Ramos (Author) (FCUP)
Factors influencing the binding of a potassium cation to a poly-ethylene-glycol type podand in liquid-liquid extraction – a molecular dynamics study
Mario Valente (Author) (FCUP); Sérgio Sousa (Author) (FCUP); Alexandre L. Magalhães (Author) (FCUP); Ana Cristina Freire (Author) (FCUP)
Factors influencing the binding of a potassium cation to a polyethylene glycol type podand in liquid-liquid extraction-a molecular dynamics study
Mario Valente (Author) (Other); Sergio Filipe Sousa (Author) (FCUP); Magalhaes, AL (Author) (FCUP); Cristina Freire (Author) (FCUP)
Effect of van der Waals interactions in the DFT description of self-assembled monolayers of thiols on gold
Jose L C Fajin (Author) (FCUP); Teixeira, F (Author) (Other); Gomes, JRB (Author) (Other); Natalia N D S Cordeiro (Author) (FCUP)
2015
Indexing
Docking and molecular dynamics studies on the stereoselectivity in the enzymatic synthesis of carbohydrates
Natercia F Bras (Author) (Other); Pedro A Fernandes (Author) (FCUP); Maria J Ramos (Author) (FCUP)

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