A Computational and Conceptual DFT Study of the Reactivity of Anionic Compounds: Implications for Enzymatic Catalysis
- 12 August 2003
- journal article
- research article
- Published by American Chemical Society (ACS) in The Journal of Physical Chemistry A
- Vol. 107 (35) , 6828-6836
- https://doi.org/10.1021/jp034376l
Abstract
No abstract availableKeywords
This publication has 59 references indexed in Scilit:
- Chemical Reactivity as Described by Quantum Chemical MethodsInternational Journal of Molecular Sciences, 2002
- Mulliken population analysis based evaluation of condensed Fukui function indices using fractional molecular chargeThe Journal of Chemical Physics, 2001
- Kinetics and active site dynamics of Staphylococcus aureus arsenate reductaseJBIC Journal of Biological Inorganic Chemistry, 2001
- Protein-Tyrosine Phosphatases: Biological Function, Structural Characteristics, and Mechanism of CatalysisCritical Reviews in Biochemistry and Molecular Biology, 1998
- Energetics of nucleophile activation in a protein tyrosine phosphataseJournal of Molecular Biology, 1997
- Local Softness as a Regioselectivity Indicator in [4+2] Cycloaddition ReactionsThe Journal of Physical Chemistry A, 1997
- Atomic polarizability and electronegativityJournal of the American Chemical Society, 1990
- A relationship between the static dipole polarizability, the global softness, and the fukui functionJournal of the American Chemical Society, 1990
- Arsenic mononucleotides. Separation by high-performance liquid chromatography and identification with myokinase and adenylate deaminaseBiochemistry, 1984
- Proof thatin density-functional theoryPhysical Review B, 1978