Marti S - Search Results

1

Peptide Bond Formation Mechanism Catalyzed by Ribosome.

Świderek K, Marti S, Tuñón I, Moliner V, Bertran J. Świderek K, et al. Among authors: marti s. J Am Chem Soc. 2015 Sep 23;137(37):12024-34. doi: 10.1021/jacs.5b05916. Epub 2015 Sep 10. J Am Chem Soc. 2015. PMID: 26325003 Free PMC article.

2

Preorganization and reorganization as related factors in enzyme catalysis: the chorismate mutase case.

Martí S, Andrés J, Moliner V, Silla E, Tuñón I, Bertrán J. Martí S, et al. Chemistry. 2003 Feb 17;9(4):984-91. doi: 10.1002/chem.200390121. Chemistry. 2003. PMID: 12584715

3

Theoretical modeling of enzyme catalytic power: analysis of "cratic" and electrostatic factors in catechol O-methyltransferase.

Roca M, Martí S, Andrés J, Moliner V, Tuñón I, Bertrán J, Williams IH. Roca M, et al. Among authors: marti s. J Am Chem Soc. 2003 Jun 25;125(25):7726-37. doi: 10.1021/ja0299497. J Am Chem Soc. 2003. PMID: 12812514

4

QM/MM calculations of kinetic isotope effects in the chorismate mutase active site.

Martí S, Moliner V, Tuñón I, Williams IH. Martí S, et al. Org Biomol Chem. 2003 Feb 7;1(3):483-7. doi: 10.1039/b210508j. Org Biomol Chem. 2003. PMID: 12926249

5

A comparative study of claisen and cope rearrangements catalyzed by chorismate mutase. An insight into enzymatic efficiency: transition state stabilization or substrate preorganization?

Martí S, Andrés J, Moliner V, Silla E, Tuñón I, Bertrán J. Martí S, et al. J Am Chem Soc. 2004 Jan 14;126(1):311-9. doi: 10.1021/ja0369156. J Am Chem Soc. 2004. PMID: 14709097

6

Theoretical insights in enzyme catalysis.

Martí S, Roca M, Andrés J, Moliner V, Silla E, Tuñón I, Bertrán J. Martí S, et al. Chem Soc Rev. 2004 Feb 20;33(2):98-107. doi: 10.1039/b301875j. Epub 2003 Dec 9. Chem Soc Rev. 2004. PMID: 14767505 Review.

7

Towards a rational design of antibody catalysts through computational chemistry.

Martí S, Andrés J, Moliner V, Silla E, Tuñón I, Bertrán J. Martí S, et al. Angew Chem Int Ed Engl. 2005 Jan 28;44(6):904-9. doi: 10.1002/anie.200461325. Angew Chem Int Ed Engl. 2005. PMID: 15624229 No abstract available.

8

Stereoselectivity behavior of the AZ28 antibody catalyzed oxy-Cope rearrangement.

Martí S, Andrés J, Moliner V, Silla E, Tuñón I, Bertrán J. Martí S, et al. J Phys Chem A. 2006 Jan 19;110(2):726-30. doi: 10.1021/jp054679a. J Phys Chem A. 2006. PMID: 16405346

9

Computing kinetic isotope effects for chorismate mutase with high accuracy. A new DFT/MM strategy.

Martí S, Moliner V, Tuñón I, Williams IH. Martí S, et al. J Phys Chem B. 2005 Mar 10;109(9):3707-10. doi: 10.1021/jp044387u. J Phys Chem B. 2005. PMID: 16851412

10

Hybrid quantum mechanics/molecular mechanics simulations with two-dimensional interpolated corrections: application to enzymatic processes.

Ruiz-Pernía JJ, Silla E, Tuñón I, Martí S. Ruiz-Pernía JJ, et al. Among authors: marti s. J Phys Chem B. 2006 Sep 7;110(35):17663-70. doi: 10.1021/jp063520a. J Phys Chem B. 2006. PMID: 16942112

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