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Physical Chemistry Chemical Physics : PCCP|February 7, 2012
Understanding the different activities of highly promiscuous MbtI by computational methodsSilvia Ferrer, Sergio Martí, Vicent Moliner, et al.
Journal of the American Chemical Society|May 18, 2013
Role of solvent on nonenzymatic peptide bond formation mechanisms and kinetic isotope effectsKatarzyna Świderek, Iñaki Tuñón, Sergio Martí, et al.
The Journal of Physical Chemistry. B|October 8, 2010
Application of Grote-Hynes theory to the reaction catalyzed by thymidylate synthaseNatalia Kanaan, Maite Roca, Iñaki Tuñón, et al.
Journal of Chemical Theory and Computation|November 24, 2015
A Novel Strategy to Study Electrostatic Effects in Chemical Reactions: Differences between the Role of Solvent and the Active Site of Chalcone Isomerase in a Michael AdditionJ Javier Ruiz-Pernía, Sergio Martí, Vicent Moliner, et al.
Physical Chemistry Chemical Physics : PCCP|August 18, 2010
Theoretical study of the temperature dependence of dynamic effects in thymidylate synthaseNatalia Kanaan, Maite Roca, Iñaki Tuñón, et al.
Chemical Communications (Cambridge, England)|October 17, 2012
Do zwitterionic species exist in the non-enzymatic peptide bond formation?Katarzyna Świderek, Iñaki Tuñón, Sergio Martí, et al.
The Journal of Physical Chemistry. B|May 6, 2011
Enzyme molecular mechanism as a starting point to design new inhibitors: a theoretical study of O-GlcNAcaseJerônimo Lameira, Cláudio Nahum Alves, Iñaki Tuñón, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|June 25, 2016
Coordination Chemistry Dictates the Structural Defects in Lead Halide PerovskitesSara Rahimnejad, Alexander Kovalenko, Sergio Martí Forés, et al.
The Journal of Physical Chemistry. B|May 12, 2009
Theoretical modeling of the reaction mechanism of phosphate monoester hydrolysis in alkaline phosphataseVioleta López-Canut, Sergio Martí, Juan Bertrán, et al.
Physical Chemistry Chemical Physics : PCCP|October 3, 2013
Computational study of the mechanism of half-reactions in class 1A dihydroorotate dehydrogenase from Trypanosoma cruziNatália de Farias Silva, Jerônimo Lameira, Cláudio Nahum Alves, et al.
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