Comment on "Molecular dynamics DFT:B3LYP study of guanosinetriphosphate conversion into guanosinemonophosphate upon Mg2+ chelation of alpha and beta phosphate oxygens of the triphosphate tail" by Alexander A. Tulub, Phys. Chem. Chem. Phys., 2006, 8, 2187

Jeremy N Harvey, Jolanta Zurek, Ulla Pentikäinen, Adrian J Mulholland

Research output: Contribution to journalArticle (Academic Journal)peer-review

Abstract

A recent paper in this journal uses molecular dynamics methods to study hydrolysis of guanosine triphosphate (GTP). The author reports that cleavage of the molecule occurs in less than 5 ps, and leads to a number of fragments including a free oxygen atom and a reduced magnesium ion. This conclusion is not in agreement with the known biochemistry and chemical reactivity of GTP or with previous computational studies of its hydrolysis reaction.

Original languageEnglish
Pages (from-to)5366-7; discussion 5368-9
JournalPhysical Chemistry Chemical Physics
Volume8
Issue number45
Publication statusPublished - 7 Dec 2006

Keywords

  • Chelating Agents
  • Guanosine Monophosphate
  • Guanosine Triphosphate
  • Magnesium

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