Free Energy Calculations of Conformational Equilibrium of Chorismate in Water. The Role of Solute Polarization-Reference-Cited by-同舟云学术

Free Energy Calculations of Conformational Equilibrium of Chorismate in Water. The Role of Solute Polarization

Published:2002-11-12 Issue:48 Volume:106 Page:11822-11830
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Madurga Sergio¹,Vilaseca Eudald¹

Affiliation:

1. Departament de Química Física i Centre de Recerca en Química Teòrica, Facultat de Química, Universitat de Barcelona, Martí i Franquès 1, 08028-Barcelona, Catalunya, Spain

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp026482d

Reference29 articles.

1. Haslam, E.Shikimic Acid: Metabolism and Metabolites; Wiley: Chichester, U.K., 1993.

2. Thermodynamics of the Conversion of Chorismate to Prephenate: Experimental Results and Theoretical Predictions

3. The conformational equilibrium of chorismate in solution: implications for the mechanism of the non-enzymic and the enzyme-catalyzed rearrangement of chorismate to prephenate

4. A QM/MM Study of the Conformational Equilibria in the Chorismate Mutase Active Site. The Role of the Enzymatic Deformation Energy Contribution

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