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2019Molecular modeling studies on the interactions of 7-methoxytacrine-4-pyridinealdoxime, 4-PA, 2-PAM, and obidoxime with VX-inhibited human acetylcholinesterase: a near attack conformation approachSilva, Jorge Alberto Valle da; Nepovimova, Eugenie; Ramalho, Teodorico Castro; Kuca, Kamil; França, Tanos Celmar Costa
2019Molecular modelling studies on the interactions of 7-methoxytacrine-4-pyridinealdoxime with VX-inhibited human acetylcholinesterase: a near attack approach to assess different spacer-lengthsSilva, Jorge Alberto Valle da; Nepovimova, Eugenie; Ramalho, Teodorico Castro; Kuca, Kamil; França, Tanos Celmar Costa
2020Reactivation of VX-inhibited human acetylcholinesterase by deprotonated pralidoxime. a complementary quantum mechanical studySilva, Jorge Alberto Valle da; Pereira, Ander Francisco; LaPlante, Steven R.; Kuca, Kamil; Ramalho, Teodorico Castro; França, Tanos Celmar Costa
7-Mai-2018Synthesis, biological evaluation and docking studies of novel bisquaternary aldoxime reactivators on acetylcholinesterase and butyrylcholinesterase inhibited by paraoxonKuca, Kamil; Jun, Daniel; Junova, Lucie; Musilek, Kamil; Hrabinova, Martina; Silva, Jorge Alberto Valle da; Ramalho, Teodorico Castro; Valko, Marian; Wu, Qinghua; Nepovimova, Eugenie; França, Tanos Celmar Costa
2018The role of the oximes HI-6 and HS-6 inside human acetylcholinesterase inhibited with nerve agents: a computational studyCuya, Teobaldo; Gonçalves, Arlan da Silva; Silva, Jorge Alberto Valle da; Ramalho, Teodorico C.; Kuca, Kamil; França, Tanos C.C.