A modular treatment of molecular traffic through the active site of cholinesterase.

  title={A modular treatment of molecular traffic through the active site of cholinesterase.},
  author={Simone A. Botti and Clifford E. Felder and Shneior Lifson and Joel L. Sussman and Israel Silman},
  journal={Biophysical journal},
  volume={77 5},
We present a model for the molecular traffic of ligands, substrates, and products through the active site of cholinesterases (ChEs). First, we describe a common treatment of the diffusion to a buried active site of cationic and neutral species. We then explain the specificity of ChEs for cationic ligands and substrates by introducing two additional components to this common treatment. The first module is a surface trap for cationic species at the entrance to the active-site gorge that operates… CONTINUE READING
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