Comment on "A Stationary-Wave Model of Enzyme Catalysis" By Carlo Canepa

Richard Lonsdale, Jeremy N. Harvey, Frederick R. Manby, Adrian J. Mulholland*

*Corresponding author for this work

Research output: Contribution to journalEditorial (Academic Journal)

6 Citations (Scopus)

Abstract

Energy barriers for enzyme-catalyzed reactions calculated with quantum mechanics/molecular mechanics (QM/MM) and empirical valence bond (EVB) methods can be in excellent agreement with activation energies derived from experiments, supporting the applicability of transition state theory for enzymic reactions. (C) 2010 Wiley Periodicals, Inc. J Comput Chem 32: 368-369, 2011

Original languageEnglish
Pages (from-to)368-369
Number of pages2
JournalJournal of Computational Chemistry
Volume32
Issue number2
DOIs
Publication statusPublished - 30 Jan 2011

Keywords

  • transition state theory
  • SIMULATIONS
  • TRANSITION-STATE THEORY
  • QM/MM
  • BARRIERS
  • computational enzymology
  • DECARBOXYLATION
  • HIGH-ACCURACY
  • ALPHA-AMINO-ACIDS
  • GLUTATHIONE-S-TRANSFERASE

Cite this