Structure/function characterization of μ-conotoxin kiiia, an analgesic, nearly irreversible blocker of mammalian neuronal sodium channels*

HIGHLIGHTS

• who: Min-Min Zhang from the earlier (20, )Analogs were built into the initial model of KIIIA using InsightII (Accelrys, ). All structures were subjected to molecular dynamics simulation using the GROMACS (v3.3.1) package of programs applying a similar approach as had been used to model KIIIA previously. All simulations consisted of an initial minimization of water molecules followed by , ps of molecular dynamics with the peptide fixed. The restraints on the peptide were then removed and molecular dynamics continued for a further , ns. Chemical Synthesis of Conotoxins-Conotoxin analogs were synthesized on solid support using . . .
  

   

  

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