Tautomerism of xanthine and alloxanthine: A model for substrate recognition by xanthine oxidase. - Begoña Hernández; Modesto Orozco; F. Javier Luque (J. Comput. Aided Mol. Des., 1996)

Role of the tautomerism of 2-azaadenine and 2-azahypoxanthine in substrate recognition by xanthine oxidase. - Begoña Hernández; Modesto Orozco; F. Javier Luque (J. Comput. Aided Mol. Des., 1997)

Parametrization of the GMIPp for the study of stacking interactions. - Begoña Hernández; F. Javier Luque; Modesto Orozco (J. Comput. Chem., 1999)

Mixed QM/MM molecular electrostatic potentials. - Begoña Hernández; F. Javier Luque; Modesto Orozco (J. Comput. Aided Mol. Des., 2000)

Hydrophobic similarity between molecules: A MST-based hydrophobic similarity index. - Jordi Muñoz; Xavier Barril; Begoña Hernández; Modesto Orozco; F. Javier Luque (J. Comput. Chem., 2002)

Energy decomposition in molecular complexes: Implications for the treatment of polarization in molecular simulations. - Carles Curutchet; Josep Maria Bofill; Begoña Hernández; Modesto Orozco; F. Javier Luque (J. Comput. Chem., 2003)

The Number of Linearly Independent Vectors in Spectral Databases. - Carlos Sáenz; Begoña Hernández; Coro Alberdi; Santiago Alfonso; José Manuel Diñeiro (SCIA, 2009)