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Repositório Aberto da Universidade do Porto
Browsing by Author Nuno M. Garrido
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Showing results 1 to 11 of 11
Issue Date
Title
Author(s)
Type
2009
1-Octanol/water partition coefficients of n-Alkanes from molecular simulations of absolute solvation free energies
Nuno M. Garrido
;
António J. Queimada
;
Miguel Jorge
;
Eugénia A. Macedo
;
Ioannis G. Economou
Artigo em Revista Científica Internacional
2010
Effect of the integration method on the accuracy and computational efficiency of free energy calculations using thermodynamic integration
Miguel Jorge
;
Nuno M. Garrido
;
António J. Queimada
;
Ioannis G. Economou
;
Eugénia A. Macedo
Artigo em Revista Científica Internacional
2009
Molecular simulation of absolute hydration free energies of polar compounds
Nuno M. Garrido
;
António J. Queimada
;
Miguel Jorge
;
Ioannis G. Economou
;
Maria Eugénia Macedo
Artigo em Livro de Atas de Conferência Internacional
2009
Molecular Simulation of the Hydration Free Energies of Substituted Barbiturates
Nuno M. Garrido
;
Miguel Jorge
;
António J. Queimada
;
Ioannis G. Economou
;
Maria Eugénia Macedo
Artigo em Livro de Atas de Conferência Internacional
2010
Molecular simulation of the hydration Gibbs energy of barbiturates
Nuno M. Garrido
;
Miguel Jorge
;
António J. Queimada
;
Ioannis G. Economou
;
Eugénia A. Macedo
Artigo em Revista Científica Internacional
2009
Phase equilibria of cyclic, straight chain and aromatic dicarboxylic acids
António J. Queimada
;
Nuno M. Garrido
;
Maria Eugénia Macedo
Artigo em Livro de Atas de Conferência Internacional
2011
Predicting hydration Gibbs energies of alkyl-aromatics using molecular simulation: a comparison of current force fields and the development of a new parameter set for accurate solvation data
Nuno M. Garrido
;
Miguel Jorge
;
António J. Queimada
;
José R. B. Gomes
;
Ioannis G. Economou
;
Eugénia A. Macedo
Artigo em Revista Científica Internacional
2009
Predicting the hydration free energy of psychotropic drugs from molecular simulation
Nuno M. Garrido
;
António J. Queimada
;
Miguel Jorge
;
Ioannis G. Economou
;
Maria Eugénia Macedo
Artigo em Livro de Atas de Conferência Internacional
2012
Prediction of the n-hexane/water and 1-octanol/water partition coefficients for environmentally relevant compounds using molecular simulation
Nuno M. Garrido
;
Ioannis G. Economou
;
António J. Queimada
;
Miguel Jorge
;
Eugénia A. Macedo
Artigo em Revista Científica Internacional
2011
Using molecular simulation to predict solute solvation and partition coefficients in solvents of different polarity
Nuno M. Garrido
;
Miguel Jorge
;
António J. Queimada
;
Ioannis G. Economou
;
Eugénia A. Macedo
Artigo em Revista Científica Internacional
2011
Using Molecular Simulation to Predict Solvation and Partition Coefficients in Solvents of Different Polarity
Nuno M. Garrido
;
Miguel Jorge
;
António J. Queimada
;
Eugénia A. Macedo
;
Ioannis G. Economou
Artigo em Revista Científica Internacional
