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

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

School of Chemistry

Research output: Contribution to journal › Article (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 language	English
Pages (from-to)	5366-7; discussion 5368-9
Journal	Physical Chemistry Chemical Physics
Volume	8
Issue number	45
Publication status	Published - 7 Dec 2006

Keywords

Chelating Agents
Guanosine Monophosphate
Guanosine Triphosphate
Magnesium

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Harvey, J. N., Zurek, J., Pentikäinen, U., & Mulholland, A. J. (2006). 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. Physical Chemistry Chemical Physics, 8(45), 5366-7; discussion 5368-9.

Harvey, Jeremy N ; Zurek, Jolanta ; Pentikäinen, Ulla et al. / 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. In: Physical Chemistry Chemical Physics. 2006 ; Vol. 8, No. 45. pp. 5366-7; discussion 5368-9.

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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.",

keywords = "Chelating Agents, Guanosine Monophosphate, Guanosine Triphosphate, Magnesium",

author = "Harvey, {Jeremy N} and Jolanta Zurek and Ulla Pentik{\"a}inen and Mulholland, {Adrian J}",

year = "2006",

month = dec,

day = "7",

language = "English",

volume = "8",

pages = "5366--7; discussion 5368--9",

journal = "Physical Chemistry Chemical Physics",

issn = "1463-9076",

publisher = "Royal Society of Chemistry",

number = "45",

}

Harvey, JN, Zurek, J, Pentikäinen, U & Mulholland, AJ 2006, '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', Physical Chemistry Chemical Physics, vol. 8, no. 45, pp. 5366-7; discussion 5368-9.

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. / Harvey, Jeremy N; Zurek, Jolanta; Pentikäinen, Ulla et al.
In: Physical Chemistry Chemical Physics, Vol. 8, No. 45, 07.12.2006, p. 5366-7; discussion 5368-9.

Research output: Contribution to journal › Article (Academic Journal) › peer-review

TY - JOUR

T1 - 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

AU - Harvey, Jeremy N

AU - Zurek, Jolanta

AU - Pentikäinen, Ulla

AU - Mulholland, Adrian J

PY - 2006/12/7

Y1 - 2006/12/7

N2 - 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.

AB - 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.

KW - Chelating Agents

KW - Guanosine Monophosphate

KW - Guanosine Triphosphate

KW - Magnesium

M3 - Article (Academic Journal)

C2 - 19810415

SN - 1463-9076

VL - 8

SP - 5366-7; discussion 5368-9

JO - Physical Chemistry Chemical Physics

JF - Physical Chemistry Chemical Physics

IS - 45

ER -

Harvey JN, Zurek J, Pentikäinen U, Mulholland AJ. 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. Physical Chemistry Chemical Physics. 2006 Dec 7;8(45):5366-7; discussion 5368-9.