Molecular modeling andin vitroreactivation study between the oxime BI-6 and acetylcholinesterase inhibited by different nerve agents

TLC Analysis of Intermediates Arising During the Preparation of Oxime HI-6 Dimethanesulfonate

(2013) D. Jun et al.   JOURNAL OF CHROMATOGRAPHIC SCIENCE

Construction and Assessment of Reaction Models of Class I EPSP Synthase: Molecular Docking and Density Functional Theoretical Calculations

(2012) Teodorico C. Ramalho et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

What Is the Covalency of Hydrogen Bonding?

(2011) Sławomir Janusz Grabowski   CHEMICAL REVIEWS

Molecular dynamics simulations and QM/MM studies of the reactivation by 2-PAM of tabun inhibited human acethylcolinesterase

(2011) Arlan da Silva Gonçalves et al.   JOURNAL OF THE BRAZILIAN CHEMICAL SOCIETY

Molecular modeling of the Toxoplasma gondii adenosine kinase inhibitors

(2011) Elaine F. F. da Cunha et al.   MEDICINAL CHEMISTRY RESEARCH

Design, synthesis and evaluation of new α-nucleophiles for the hydrolysis of organophosphorus nerve agents: application to the reactivation of phosphorylated acetylcholinesterase

(2011) Géraldine Saint-André et al.   TETRAHEDRON

Novel acetylcholinesterase reactivator K112 and its cholinergic properties

(2010) O. Soukup et al.   BIOMEDICINE & PHARMACOTHERAPY

Development of new acetylcholinesterase reactivators: Molecular modeling versus in vitro data

(2010) Teodorico C. Ramalho et al.   CHEMICO-BIOLOGICAL INTERACTIONS

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS

Chemical warfare agents simulants detection with an optimized SAW sensor array

(2010) D. Matatagui et al.   SENSORS AND ACTUATORS B-CHEMICAL

Reaction Pathway and Free-Energy Barrier for Reactivation of Dimethylphosphoryl-Inhibited Human Acetylcholinesterase

(2009) Junjun Liu et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Synthesis of monooxime-monocarbamoyl bispyridinium compounds bearing (E)-but-2-ene linker and evaluation of their reactivation activity against tabun- and paraoxon-inhibited acetylcholinesterase

(2008) Kamil Musilek et al.   JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY