Valle da Silva, Jorge Alberto; Pereira, Ander Francisco; LaPlante, Steven R; Kuča, Kamil; Ramalho, Teodorico Castro; Costa Franca, Tanos Celmar
(MDPI, 2020)
In the present work, we performed a complementary quantum mechanical (QM) study to describe the mechanism by which deprotonated pralidoxime (2-PAM) could reactivate human (Homo sapiens sapiens) acetylcholinesterase (HssAChE) ...