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Towards a detailed description of pyridoxamine tautomeric species

Adrover Estelrich, Miguel; Caldés Melis, Catalina; Vilanova Canet, Bartolomé; Frau Munar, Juan; Donoso Pardo, Josefa Laurentina; Muñoz Izquierdo, Francisco
Avoiding gas-phase calculations in theoretical pKa predictions.

Casasnovas Perera, Rodrigo; Fernández Payeras, David; Ortega Castro, Joaquín; Frau Munar, Juan; Donoso Pardo, Josefa Laurentina; Muñoz Izquierdo, Francisco
Theoretical calculations of stability constants and pKa values of metal complexes in solution: application to pyridoxamine-copper(II) complexes and their biological implications in AGE inhibition

Casasnovas Perera, Rodrigo; Ortega Castro, Joaquín; Donoso Pardo, Josefa Laurentina; Frau Munar, Juan; Muñoz Izquierdo, Francisco
Theoretical pKa Calculations With Continuum Model Solvents, Alternative Protocols to Thermodynamic Cycles

Casasnovas Parera, Rodrigo; Ortega Castro, Joaquín; Frau Munar, Juan; Donoso Pardo, Josefa Laurentina; Muñoz Izquierdo, Francisco
Isodesmic reaction for pKa calculations of common organic molecules

Sastre Tenreiro, Sebastian; Casasnovas Perera, Rodrigo; Muñoz Izquierdo, Francisco; Frau Munar, Juan

Now showing items 1-5 of 5