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Journal of Chemical Theory and Computation|December 3, 2015
Path Integral Simulations of Proton Transfer Reactions in Aqueous Solution Using Combined QM/MM PotentialsDan Thomas Major, Mireia Garcia-Viloca, Jiali GaoBiochemistry|November 19, 2003
Reaction-path energetics and kinetics of the hydride transfer reaction catalyzed by dihydrofolate reductaseMireia Garcia-Viloca, Donald G Truhlar, Jiali GaoJournal of Molecular Biology|March 12, 2003
Importance of substrate and cofactor polarization in the active site of dihydrofolate reductaseMireia Garcia-Viloca, Donald G Truhlar, Jiali GaoJournal of Computational Chemistry|December 24, 2002
Hydride transfer catalyzed by xylose isomerase: mechanism and quantum effectsMireia Garcia-Viloca, Cristóbal Alhambra, Donald G Truhlar, et al.Science (New York, N.Y.)|January 13, 2004
How enzymes work: analysis by modern rate theory and computer simulationsMireia Garcia-Viloca, Jiali Gao, Martin Karplus, et al.Journal of the American Chemical Society|June 20, 2002
Quantum dynamics of hydride transfer catalyzed by bimetallic electrophilic catalysis: synchronous motion of Mg(2+) and H(-) in xylose isomeraseMireia Garcia-Viloca, Cristóbal Alhambra, Donald G Truhlar, et al.Journal of Computer-Aided Molecular Design|November 17, 2007
Comparative study of the prereactive protein kinase A Michaelis complex with kemptide substrateManuel Montenegro, Mireia Garcia-Viloca, Angels González-Lafont, et al.Protein Science : a Publication of the Protein Society|August 24, 2004
Sensitivity of molecular dynamics simulations to the choice of the X-ray structure used to model an enzymatic reactionMireia Garcia-Viloca, Tina D Poulsen, Donald G Truhlar, et al.The Journal of Physical Chemistry. A|January 13, 2006
On the ionization state of the substrate in the active site of glutamate racemase. A QM/MM study about the importance of being zwitterionicEduard Puig, Mireia Garcia-Viloca, Angels González-Lafont, et al.Physical Chemistry Chemical Physics : PCCP|November 6, 2010
A QM/MM study of the phosphoryl transfer to the Kemptide substrate catalyzed by protein kinase A. The effect of the phosphorylation state of the protein on the mechanismManuel Montenegro, Mireia Garcia-Viloca, José M Lluch, et al.Pageof 3