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. (2006)
Attributed to:
Combined quantum mechanics/molecular mechanics (QM/MM) Monte Carlo free energy simulations: a feasibility study
funded by
EPSRC
Abstract
No abstract provided
Bibliographic Information
Digital Object Identifier: http://dx.doi.org/10.1039/b608855d
PubMed Identifier: 19810415
Publication URI: http://europepmc.org/abstract/MED/19810415
Type: Journal Article/Review
Volume: 8
Parent Publication: Physical chemistry chemical physics : PCCP
Issue: 45
ISSN: 1463-9076