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Theoretical QSAR modelling and molecular docking studies of some 4-hydroxyphenylpyruvate dioxygenase (HPPD) enzyme inhibitors potentially used as herbicides

Computational QSAR studies together with molecular docking calculations have been performed on 118 different derivatives of organic molecules potentially used as herbicides. The Becke's three parameter exchange functional (B3) hybrid with Lee, Yang and Parr correlation functional (LYP), termed...

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Bibliografiske detaljer
Udgivet i:Heliyon
Main Authors: Tukur, Saidu, Shallangwa, Gideon Adamu, Ibrahim, Abdulkadir
Format: Artigo
Sprog:Inglês
Udgivet: Elsevier 2019
Fag:
Online adgang:https://ncbi.nlm.nih.gov/pmc/articles/PMC6872840/
https://ncbi.nlm.nih.gov/pubmed/31768442
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.heliyon.2019.e02859
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