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de Almeida, J.S.F.D. (author), Cuya Guizado, T.R. (author), Guimarães, A.P. (author), Ramalho, T.C. (author), Gonçalves, A.S. (author), de Koning, M.C. (author), França, T.C.C. (author)
In the present work, we performed docking and molecular dynamics simulations studies on two groups of long-tailored oximes designed as peripheral site binders of acetylcholinesterase (AChE) and potential penetrators on the blood brain barrier. Our studies permitted to determine how the tails anchor in the peripheral site of sarin-inhibited human...
article 2016