Dynamic Mechanism of a Fluorinated Oxime Reactivator Unbinding from AChE Gorge in Polarizable Water

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Date

2018

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Keywords

Dynamic Mechanism, Fluorinated Oxime Reactivator Unbinding, AChE Gorge, Polarizable Water, fluorinated oxime (FHI-6) drug, well-tempered metadynamics simulation

Source

Journal of Physical Chemistry-B, 2018. Vol. 122 (14): pp. 3876-3888

URI

http://hdl.handle.net/123456789/16985

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2018