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Journal of the American Chemical Society|August 20, 2020
Transition-State Vibrational Analysis and Isotope Effects for COMT-Catalyzed Methyl TransferMaite Roca, Ian H WilliamsProteins|October 27, 2009
Effective approach for calculations of absolute stability of proteins using focused dielectric constantsSpyridon Vicatos, Maite Roca, Arieh WarshelFEBS Letters|May 1, 2007
Electrostatic contributions to protein stability and folding energyMaite Roca, Benjamin Messer, Arieh WarshelOrganic & Biomolecular Chemistry|June 16, 2012
Substrate promiscuity in DNA methyltransferase M.PvuII. A mechanistic insightJuan Aranda, Maite Roca, Iñaki TuñónBiotechnology Journal|February 21, 2009
The empirical valence bond as an effective strategy for computer-aided enzyme designAlexandra Vardi-Kilshtain, Maite Roca, Arieh WarshelBiochemistry|January 24, 2009
Toward accurate screening in computer-aided enzyme designMaite Roca, Alexandra Vardi-Kilshtain, Arieh WarshelJournal of the American Chemical Society|June 7, 2012
Reversibility and diffusion in mandelythiamin decarboxylation. Searching dynamical effects in decarboxylation reactionsMaite Roca, Juan-Luis Pascual-Ahuir, Iñaki TuñónJournal of Chemical Information and Modeling|September 2, 2021
Unrevealing the Proteolytic Activity of RgpB Gingipain from Computational SimulationsSantiago Movilla, Sergio Martí, Maite Roca, et al.Biochemistry|December 7, 2007
On the relationship between thermal stability and catalytic power of enzymesMaite Roca, Hanbin Liu, Benjamin Messer, et al.Journal of the American Chemical Society|October 28, 2014
Dynamics and reactivity in Thermus aquaticus N6-adenine methyltransferaseJuan Aranda, Kirill Zinovjev, Maite Roca, et al.Pageof 4