Hydride transfer catalyzed by xylose isomerase: Mechanism and quantum effects. - Mireia Garcia-Viloca; Cristóbal Alhambra; Donald G. Truhlar; Jiali Gao (J. Comput. Chem., 2003)

Comparative study of the prereactive protein kinase A Michaelis complex with Kemptide substrate. - Manuel Montenegro; Mireia Garcia-Viloca; Àngels González-Lafont; José M. Lluch (J. Comput. Aided Mol. Des., 2007)

A QM/MM study of the associative mechanism for the phosphorylation reaction catalyzed by protein kinase A and its D166A mutant. - Ayax Pérez-Gallegos; Mireia Garcia-Viloca; Àngels González-Lafont; José M. Lluch (J. Comput. Aided Mol. Des., 2014)