Article
Acetylcholinesterase: role of the enzyme's charge distribution in steering charged ligands toward the active site.
Biopolymers - 1 Jul 1996
Antosiewicz J, Wlodek S T, McCammon J A
Abstract excerpt
The electrostatic steering of charged ligands toward the active site of Torpedo californica acetylcholinesterase is investigated by Brownian dynamics simulations of wild type enzyme and several mutated forms, in which some normally charged residues are neutralized. The simulations reveal that the...
Topics
- Acetylcholinesterase
- Animals
- Binding Sites
- Diffusion
- Evolution, Molecular
- Kinetics
- Ligands
- Models, Molecular
- Mutation
- Torpedo