Andrés J - Search Results

1

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. Among authors: andres j. J Am Chem Soc. 2004 Jan 14;126(1):311-9. doi: 10.1021/ja0369156. J Am Chem Soc. 2004. PMID: 14709097

2

A hybrid potential reaction path and free energy study of the chorismate mutase reaction.

Martí S, Andrés J, Moliner V, Silla E, Tuñón I, Bertrán J, Field MJ. Martí S, et al. Among authors: andres j. J Am Chem Soc. 2001 Feb 28;123(8):1709-12. doi: 10.1021/ja003522n. J Am Chem Soc. 2001. PMID: 11456771

3

On Transition Structures for Hydride Transfer Step in Enzyme Catalysis. A Comparative Study on Models of Glutathione Reductase Derived from Semiempirical, HF, and DFT Methods.

Andrés J, Moliner V, Safont VS, Domingo LR, Picher MT. Andrés J, et al. J Org Chem. 1996 Nov 1;61(22):7777-7783. doi: 10.1021/jo960803y. J Org Chem. 1996. PMID: 11667733

4

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. Among authors: andres j. Chemistry. 2003 Feb 17;9(4):984-91. doi: 10.1002/chem.200390121. Chemistry. 2003. PMID: 12584715

5

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: andres j. J Am Chem Soc. 2003 Jun 25;125(25):7726-37. doi: 10.1021/ja0299497. J Am Chem Soc. 2003. PMID: 12812514

6

Theoretical insights in enzyme catalysis.

Martí S, Roca M, Andrés J, Moliner V, Silla E, Tuñón I, Bertrán J. Martí S, et al. Among authors: andres j. 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. Among authors: andres j. 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

On the nature of the transition state in catechol O-methyltransferase. A complementary study based on molecular dynamics and potential energy surface explorations.

Roca M, Andrés J, Moliner V, Tuñón I, Bertrán J. Roca M, et al. Among authors: andres j. J Am Chem Soc. 2005 Aug 3;127(30):10648-55. doi: 10.1021/ja051503d. J Am Chem Soc. 2005. PMID: 16045352

9

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. Among authors: andres j. J Phys Chem A. 2006 Jan 19;110(2):726-30. doi: 10.1021/jp054679a. J Phys Chem A. 2006. PMID: 16405346

10

Computer-aided rational design of catalytic antibodies: The 1F7 case.

Martí S, Andrés J, Silla E, Moliner V, Tuñón I, Bertrán J. Martí S, et al. Among authors: andres j. Angew Chem Int Ed Engl. 2007;46(1-2):286-90. doi: 10.1002/anie.200603293. Angew Chem Int Ed Engl. 2007. PMID: 17124715 No abstract available.

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