Computational Study for the Unbinding Routes of β-N-Acetyl-d-Hexosaminidase Inhibitor: Insight from Steered Molecular Dynamics Simulations
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DOI: 10.3390/ijms20061516
Abstract: β-N-Acetyl-d-hexosaminidase from Ostrinia furnacalis (OfHex1) is a new target for the design of insecticides. Although some of its inhibitors have been found, there is still no commercial drug available at present. The residence time of… read more here.
Keywords: molecular dynamics; acetyl hexosaminidase; steered molecular; unbinding routes ... See more keywords