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Chemistry (Weinheim an Der Bergstrasse, Germany)|December 12, 2024
Active Site Engineering of a Glycerol Dehydrogenase Improves its Oxidative Activity and Scope Toward Glycerol DerivativesDaniel A Grajales-Hernández, Maite Roca, Vicent Moliner, 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.Proceedings of the National Academy of Sciences of the United States of America|September 26, 2018
Parallel reaction pathways and noncovalent intermediates in thymidylate synthase revealed by experimental and computational toolsSvetlana A Kholodar, Ananda K Ghosh, Katarzyna Świderek, et al.Chemical Society Reviews|November 21, 2008
Computational design of biological catalystsSergio Martí, Juan Andrés, Vicent Moliner, et al.Journal of Chemical Theory and Computation|November 27, 2015
Theoretical Modeling on the Reaction Mechanism of p-Nitrophenylmethylphosphate Alkaline Hydrolysis and its Kinetic Isotope EffectsVioleta López-Canut, Javier Ruiz-Pernía, Iñaki Tuñón, et al.Physical Chemistry Chemical Physics : PCCP|October 4, 2018
Temperature dependence of dynamic, tunnelling and kinetic isotope effects in formate dehydrogenaseMaite Roca, J Javier Ruiz-Pernía, Raquel Castillo, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|February 14, 2003
Preorganization and reorganization as related factors in enzyme catalysis: the chorismate mutase caseSergio Martí, Juan Andrés, Vicent Moliner, et al.The Journal of Physical Chemistry. A|January 13, 2006
Stereoselectivity behavior of the AZ28 antibody catalyzed oxy-Cope rearrangementSergio Martí, Juan Andrés, Vicent Moliner, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|October 26, 2007
Theoretical study of catalytic efficiency of a Diels-Alderase catalytic antibody: an indirect effect produced during the maturation processSergio Martí, Juan Andrés, Vicent Moliner, et al.Journal of Chemical Theory and Computation|February 27, 2024
Electrostatics as a Guiding Principle in Understanding and Designing EnzymesJ Javier Ruiz-Pernía, Katarzyna Świderek, Joan Bertran, et al.Pageof 13