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Journal of the American Chemical Society|January 8, 2004
A comparative study of claisen and cope rearrangements catalyzed by chorismate mutase. An insight into enzymatic efficiency: transition state stabilization or substrate preorganization?Sergio Martí, Juan Andrés, Vicente Moliner, et al.
Chemical Society Reviews|November 21, 2008
Computational design of biological catalystsSergio Martí, Juan Andrés, Vicent Moliner, 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 the American Chemical Society|October 20, 2009
Mechanism and plasticity of isochorismate pyruvate lyase: a computational studySergio Martí, Juan Andrés, Vicent Moliner, et al.
Journal of Chemical Theory and Computation|January 24, 2025
DNA Triplet Energies by Free Energy Perturbation TheoryRafael García-Messeguer, Miriam Navarrete-Miguel, Sergio Martí, et al.
ACS Catalysis|January 17, 2022
Impact of Warhead Modulations on the Covalent Inhibition of SARS-CoV-2 M<sup>pro</sup> Explored by QM/MM SimulationsSergio Martí, Kemel Arafet, Alessio Lodola, et al.
The Journal of Physical Chemistry. B|May 30, 2008
Origin of the absorption maxima of the photoactive yellow protein resolved via ab initio multiconfigurational methodsPedro B Coto, Sergio Martí, Mónica Oliva, et al.
The Journal of Physical Chemistry. B|October 23, 2008
A quantum mechanics/molecular mechanics study of the protein-ligand interaction of two potent inhibitors of human O-GlcNAcase: PUGNAc and NAG-thiazolineJeronimo Lameira, Cláudio Nahum Alves, Vicent Moliner, et al.
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