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Showing results 2 to 11 of 11
Issue DateTitleAuthor(s)
2013CENCALC : a computational tool for conformational entropy calculations from molecular simulationsSuárez Álvarez, Ernesto; Díaz Fernández, Natalia; Méndez Hurtado, Jefferson; Suárez Rodríguez, Dimas
2009Demineralization of whey and milk ultrafiltration permeate by means of nanofiltrationSuárez Álvarez, Ernesto; Lobo Rodríguez, Alberto; Álvarez Blanco, Silvia; Riera Rodríguez, Francisco Amador; Álvarez Fernández, Ricardo
2011Distinguishability in Entropy Calculations: Chemical Reactions, Conformational and Residual EntropySuárez Álvarez, Ernesto
2008Entropic Control of the Relative Stability of Triple-helical Collagen Peptide ModelsSuárez Álvarez, Ernesto; Díaz Fernández, Natalia; Suárez Rodríguez, Dimas
2011Entropy Calculations of Single Molecules by Combining the Rigid-Rotor and Harmonic-Oscillator Approximations with Conformational Entropy Estimations from Molecular Dynamics SimulationsSuárez Álvarez, Ernesto; Díaz Fernández, Natalia; Suárez Rodríguez, Dimas
2010Kinetic and binding effects in peptide substrate selectivity of matrix metalloproteinase-2: Molecular dynamics and QM/MM calculationsDíaz Fernández, Natalia; Suárez Rodríguez, Dimas; Suárez Álvarez, Ernesto
2008Molecular dynamics and NMR analysis of the configurational13C assignment of epimeric 22,23-epoxides of stigmasterolSuardíaz, Reynier; Maestre, Mitcheell; Suárez Álvarez, Ernesto; Bernardo, Yamilet; Alonso-Becerra, Esther; Pérez, Carlos
2009Molecular dynamics and quantum mechanical calculations on the mononuclear zinc-ß-lactamase from Bacillus cereus: Protonation state of the active site and imipenem bindingSuárez Rodríguez, Dimas; Suárez Álvarez, Ernesto; Díaz Fernández, Natalia
2012Multibody local approximation: Application to conformational entropy calculations on biomoleculesSuárez Álvarez, Ernesto; Suárez Rodríguez, Dimas
2009Thermochemical fragment energy method for biomolecules: Application to a collagen model peptideSuárez Álvarez, Ernesto; Díaz Fernández, Natalia; Suárez Rodríguez, Dimas
Showing results 2 to 11 of 11

 

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