Hydrogen Abstraction by Soybean Lipoxygenase-1. Density Functional Theory Study on Active Site Models in Terms of Gibbs Free Energies
- 11 August 2004
- journal article
- research article
- Published by American Chemical Society (ACS) in The Journal of Physical Chemistry B
- Vol. 108 (36) , 13831-13838
- https://doi.org/10.1021/jp040114n
Abstract
No abstract availableKeywords
This publication has 37 references indexed in Scilit:
- Simulations of the Large Kinetic Isotope Effect and the Temperature Dependence of the Hydrogen Atom Transfer in LipoxygenaseJournal of the American Chemical Society, 2004
- A Density Functional Theory Study on the Intramolecular Proton Transfer in the Enzyme Carbonic AnhydraseThe Journal of Physical Chemistry A, 2003
- Modeling aspects of mechanisms for reactions catalyzed by metalloenzymesJournal of Computational Chemistry, 2001
- Enzyme Catalysis: Beyond Classical ParadigmsAccounts of Chemical Research, 1998
- Using redundant internal coordinates to optimize equilibrium geometries and transition statesJournal of Computational Chemistry, 1996
- Near-infrared circular dichroism and magnetic circular dichroism and x-ray absorption spectral comparison of the non-heme ferrous active sites of plant and mammalian 15-lipoxygenasesJournal of the American Chemical Society, 1995
- Extremely Large Isotope Effects in the Soybean Lipoxygenase-Linoleic Acid ReactionJournal of the American Chemical Society, 1994
- Intermolecular interactions from a natural bond orbital, donor-acceptor viewpointChemical Reviews, 1988
- Ab initio effective core potentials for molecular calculations. Potentials for K to Au including the outermost core orbitalsThe Journal of Chemical Physics, 1985
- Theoretical studies of enzymic reactions: Dielectric, electrostatic and steric stabilization of the carbonium ion in the reaction of lysozymeJournal of Molecular Biology, 1976