Investigation of interaction modes involved in alkaline phosphatase and organophosphorus pesticides via molecular simulations

Investigation of interaction modes involved in alkaline phosphatase and organophosphorus... •The binding modes of OPPs and ALP have been studied.•OPPs and ALP mainly formed hydrogen bonds.•Gln375, Asp55 and Thr413 played important roles in the catalytic process.•The docking mode was confirmed by the differences of OPPs instability. http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Food Chemistry Elsevier

Investigation of interaction modes involved in alkaline phosphatase and organophosphorus pesticides via molecular simulations

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Publisher
Elsevier
Copyright
Copyright © 2018 Elsevier Ltd
ISSN
0308-8146
D.O.I.
10.1016/j.foodchem.2018.01.187
Publisher site
See Article on Publisher Site

Abstract

•The binding modes of OPPs and ALP have been studied.•OPPs and ALP mainly formed hydrogen bonds.•Gln375, Asp55 and Thr413 played important roles in the catalytic process.•The docking mode was confirmed by the differences of OPPs instability.

Journal

Food ChemistryElsevier

Published: Jul 15, 2018

References

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