Ligand-based 3D QSAR analysis of reactivation potency of mono- and bis-pyridinium aldoximes toward VX-inhibited rat acetylcholinesterase Article

Dolezal, Rafael, Korabecny, Jan, Malinak, David et al. (2015). Ligand-based 3D QSAR analysis of reactivation potency of mono- and bis-pyridinium aldoximes toward VX-inhibited rat acetylcholinesterase . 56 113-129. 10.1016/j.jmgm.2014.11.010

cited authors

  • Dolezal, Rafael; Korabecny, Jan; Malinak, David; Honegr, Jan; Musilek, Kamil; Kuca, Kamil

sustainable development goals

authors

publication date

  • March 1, 2015

webpage

keywords

  • 3D QSAR
  • Acetylcholinesterase
  • Biochemical Research Methods
  • Biochemistry & Molecular Biology
  • CHOLINESTERASE-INHIBITORS
  • Computational chemistry
  • Computer Science
  • Computer Science, Interdisciplinary Applications
  • Crystallography
  • DRUG DESIGN
  • ELIMINATION
  • IN-VIVO
  • KINETIC-ANALYSIS
  • Life Sciences & Biomedicine
  • MODELS
  • Mathematical & Computational Biology
  • Molecular docking
  • OXIMES
  • PREDICTIVE ABILITY
  • Physical Sciences
  • REGRESSION
  • Reactivators
  • Science & Technology
  • TOOL
  • Technology
  • VX

Digital Object Identifier (DOI)

publisher

  • ELSEVIER SCIENCE INC

start page

  • 113

end page

  • 129

volume

  • 56