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Royal Society of Chemistry, Physical Chemistry Chemical Physics, 10(21), p. 5499-5509, 2019

DOI: 10.1039/c8cp07031h

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Investigating coordination flexibility of glycerophosphodiesterase (GpdQ) through interactions with mono-, di-, and triphosphoester (NPP, BNPP, GPE, and paraoxon) substrates

Journal article published in 2019 by Gaurav Sharma ORCID, Qiaoyu Hu, Vindi M. Jayasinghe-Arachchige, Thomas J. Paul, Gerhard Schenk ORCID, Rajeev Prabhakar ORCID
This paper was not found in any repository, but could be made available legally by the author.
This paper was not found in any repository, but could be made available legally by the author.

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Abstract

Interactions of the catalytically active binuclear form of glycerophosphodiesterase (GpdQ) with chemically diverse substrates,i.e.phosphomono-, phosphodi-, and phosphotriester have been investigated using molecular dynamics (MD) simulations.