Title : Reactivation steps by 2-PAM of tabun-inhibited human acetylcholinesterase: reducing the computational cost in hybrid QM/MM methods.

Pub. Date : 2014

PMID : 23527625






2 Functional Relationships(s)
Download
Sentence
Compound Name
Protein Name
Organism
1 The present work describes a simple integrated Quantum Mechanics/Molecular Mechanics method developed to study the reactivation steps by pralidoxime (2-PAM) of acetylcholinesterase (AChE) inhibited by the neurotoxic agent Tabun. pralidoxime acetylcholinesterase (Cartwright blood group) Homo sapiens
2 The present work describes a simple integrated Quantum Mechanics/Molecular Mechanics method developed to study the reactivation steps by pralidoxime (2-PAM) of acetylcholinesterase (AChE) inhibited by the neurotoxic agent Tabun. pralidoxime acetylcholinesterase (Cartwright blood group) Homo sapiens