Josefa Donoso

Theoretical p<i>K</i>_a calculations with continuum model solvents, alternative protocols to thermodynamic cycles

Rodrigo Casasnovas, Joaquín Ortega‐Castro, Juan Frau et al. · International Journal of Quantum Chemistry · 2014 · 106 citations · Full text

Engineering, Continuum Model Solvents, Experimental Thermodynamics +19

Absolute and relative pKa calculations of mono and diprotic pyridines by quantum methods

Rodrigo Casasnovas, Juan Frau, Joaquín Ortega‐Castro et al. · Journal of Molecular Structure THEOCHEM · 2008 · 75 citations

Engineering, Physics, Natural Sciences +10

Avoiding gas-phase calculations in theoretical pK a predictions

Rodrigo Casasnovas, David Fernández, Joaquín Ortega‐Castro et al. · Theoretical Chemistry Accounts · 2011 · 73 citations

Thermodynamic Modelling, Engineering, Physics +8

Mechanistic Insights in Glycation-Induced Protein Aggregation

Miquel Adrover, Laura Mariño, Pilar Sanchís et al. · Biomacromolecules · 2014 · 63 citations

Protein Glycation, Protein Glycosylation, Protein Chemistry +14

DFT Studies on Schiff Base Formation of Vitamin B6 Analogues. Reaction between a Pyridoxamine-Analogue and Carbonyl Compounds

Joaquín Ortega‐Castro, Miquel Adrover, Juan Frau et al. · The Journal of Physical Chemistry A · 2010 · 58 citations