Title : Oxime-induced reactivation of sarin-inhibited AChE: a theoretical mechanisms study.

Pub. Date : 2007 Mar 8

PMID : 17298091






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1 In the present study, by applying the DFT approach at the B3LYP/6-311G(d,p) level and the Moller-Plesset perturbation theory at the MP2/6-311G(d,p) level, the formoximate-induced reactivation patterns of the sarin-AChE adduct and the corresponding reaction mechanism have been investigated. formoximate acetylcholinesterase (Cartwright blood group) Homo sapiens