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Journal of Biomolecular Structure and Dynamics Volume 36, 2018 - Issue 6
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Research Articles

Behavior of uncharged oximes compared to HI6 and 2-PAM in the human AChE-tabun conjugate: a molecular modeling approach

Felipe Rodrigues de SouzaLaboratory of Molecular Modeling Applied to Chemical and Biological Defense (LMCBD) Military Institute of Engineering, Rio de Janeiro, Brazil
,
Danielle Rodrigues GarciaLaboratory of Molecular Modeling Applied to Chemical and Biological Defense (LMCBD) Military Institute of Engineering, Rio de Janeiro, Brazil
,
Teobaldo CuyaFaculty of Technology, University of the State of Rio de Janeiro, Resende, Brazil
,
Kamil KucaCenter for Basic and Applied Research, Faculty of Informatics and Management, University of Hradec Králové, Hradec Králové, Czech Republic;University Hospital Hradec Králové, Hradec Králové, Czech Republic
,
Ricardo Bicca de AlencastroChemistry Institute, Federal University of Rio de Janeiro, Rio de Janeiro, Brazil
&
Tanos Celmar Costa FrançaLaboratory of Molecular Modeling Applied to Chemical and Biological Defense (LMCBD) Military Institute of Engineering, Rio de Janeiro, Brazil;Center for Basic and Applied Research, Faculty of Informatics and Management, University of Hradec Králové, Hradec Králové, Czech RepublicCorrespondence[email protected]
Pages 1430-1438 | Received 31 Jan 2017, Accepted 21 Apr 2017, Published online: 18 May 2017

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A. L. Pascoini, L. B. Federico, A. L. F. Arêas, B. A. Verde, P. G. Freitas & I. Camps. (2019) In silico development of new acetylcholinesterase inhibitors. Journal of Biomolecular Structure and Dynamics 37:4, pages 1007-1021.
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Articles from other publishers (3)

José Daniel Figueroa-Villar, Elaine C. Petronilho, Kamil Kuca & Tanos C.C. Franca. (2021) Review about Structure and Evaluation of Reactivators of Acetylcholinesterase Inhibited with Neurotoxic Organophosphorus Compounds. Current Medicinal Chemistry 28:7, pages 1422-1442.
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R A Mohamed, K K Ong, N Abdul Halim, N A Mohd. Kasim, S A Mohd. Noor, VF Knight, R Muhamad, N S Abdul Latif, H Arif & W MZ Wan Yunus. (2021) 4-Hydroxybenzohydrazide: A Potential Reactivator for Malathion-Inhibited Human Acetylcholinesterase. IOP Conference Series: Materials Science and Engineering 1051:1, pages 012021.
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Felipe Rodrigues de Souza, Danielle Rodrigues Garcia, Teobaldo Cuya, André Silva Pimentel, Arlan da Silva Gonçalves, Ricardo Bicca de Alencastro & Tanos Celmar Costa França. (2020) Molecular Modeling Study of Uncharged Oximes Compared to HI-6 and 2-PAM Inside Human AChE Sarin and VX Conjugates. ACS Omega 5:9, pages 4490-4500.
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