Theoretical insights in enzyme catalysis (Q35651463)

9 August 2017

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title

Theoretical insights in enzyme catalysis (English)

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9 August 2017

Sergio Martí

1

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9 August 2017

Maite Roca

2

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9 August 2017

Juan Andrés

3

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9 August 2017

Vicent Moliner

4

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9 August 2017

Estanislao Silla

5

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9 August 2017

Iñaki Tuñón

6

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9 August 2017

Juan Bertrán

7

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9 August 2017

9 December 2003

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9 August 2017

Chemical Society Reviews

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9 August 2017

33

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9 August 2017

2

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9 August 2017

98-107

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The depth of chemical time and the power of enzymes as catalysts.

9 August 2017

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Molecular Architecture and Biological Reactions

21 January 2018

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Electrostatic origin of the catalytic power of enzymes and the role of preorganized active sites

21 January 2018

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Energetics of enzyme catalysis

21 January 2018

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Entropic Contributions to Rate Accelerations in Enzymic and Intramolecular Reactions and the Chelate Effect

21 January 2018

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Elucidating the nature of enzyme catalysis utilizing a new twist on an old methodology: quantum mechanical-free energy calculations on chemical reactions in enzymes and in aqueous solution

21 January 2018

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Orbital steering in the catalytic power of enzymes: small structural changes with large catalytic consequences

21 January 2018

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A view at the millennium: the efficiency of enzymatic catalysis

21 January 2018

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Theoretical studies of enzymic reactions: dielectric, electrostatic and steric stabilization of the carbonium ion in the reaction of lysozyme

21 January 2018

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Frontier Bonds in QM/MM Methods: A Comparison of Different Approaches

21 January 2018

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Quantum mechanical methods for enzyme kinetics

21 January 2018

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Transition-state stabilization and enzymic catalysis. Kinetic and molecular orbital studies of the rearrangement of chorismate to prephenate.

21 January 2018

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Investigation of solvent effects for the Claisen rearrangement of chorismate to prephenate: mechanistic interpretation via near attack conformations

21 January 2018

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

21 January 2018

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Substrate conformational transitions in the active site of chorismate mutase: their role in the catalytic mechanism

21 January 2018

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Comparison of Formation of Reactive Conformers (NACs) for the Claisen Rearrangement of Chorismate to Prephenate in Water and in the E. coli Mutase: The Efficiency of the Enzyme Catalysis

21 January 2018

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On the generation of catalytic antibodies by transition state analogues.

21 January 2018

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Charge Optimization Increases the Potency and Selectivity of a Chorismate Mutase Inhibitor

21 January 2018

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

21 January 2018

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Apparent NAC effect in chorismate mutase reflects electrostatic transition state stabilization

21 January 2018

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Contributions of conformational compression and preferential transition state stabilization to the rate enhancement by chorismate mutase.

21 January 2018

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QM−FE and Molecular Dynamics Calculations on CatecholO-Methyltransferase: Free Energy of Activation in the Enzyme and in Aqueous Solution and Regioselectivity of the Enzyme-Catalyzed Reaction

21 January 2018

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

21 January 2018

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21 January 2018

Identifiers

DOI

10.1039/B301875J

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9 August 2017

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