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Journal of the American Chemical Society|May 16, 2008
Dynamic effects on reaction rates in a Michael addition catalyzed by chalcone isomerase. Beyond the frozen environment approachJ Javier Ruiz-Pernía, Iñaki Tuñón, Vicente Moliner, et al.The Journal of Organic Chemistry|November 1, 1996
On Transition Structures for Hydride Transfer Step in Enzyme Catalysis. A Comparative Study on Models of Glutathione Reductase Derived from Semiempirical, HF, and DFT MethodsJuan Andrés, Vicente Moliner, Vicent S. Safont, et al.Proteins|August 8, 2007
Coupling of the guanosine glycosidic bond conformation and the ribonucleotide cleavage reaction: implications for barnase catalysisMaite Roca, Leonardo De Maria, Shoshana J Wodak, et al.Journal of the American Chemical Society|December 21, 2006
A theoretical analysis of rate constants and kinetic isotope effects corresponding to different reactant valleys in lactate dehydrogenaseSilvia Ferrer, Iñaki Tuñón, Sergio Martí, et al.Journal of Chemical Theory and Computation|December 8, 2015
A QM/MM Exploration of the Potential Energy Surface of Pyruvate to Lactate Transformation Catalyzed by LDH. Improving the Accuracy of Semiempirical DescriptionsSilvia Ferrer, J Javier Ruiz-Pernía, Iñaki Tuñón, et al.Pageof 2