Article
Simulation of charge-mutant acetylcholinesterases.
Biochemistry - 4 Apr 1995
Antosiewicz J, McCammon J A, Wlodek S T, Gilson M K
Abstract excerpt
A recent experimental study of human acetylcholinesterase has shown that the mutation of surface acidic residues has little effect on the rate constant for hydrolysis of acetylthiocholine. It was concluded, on this basis, that the reaction is not diffusion controlled and that electrostatic steering plays only a minor role in determining the rate. Here we examine this issue through Brownian dynamics simulations on...
Topics
- Acetylcholinesterase
- Acetylthiocholine
- Animals
- Binding Sites
- Catalysis
- Chemical Phenomena
- Chemistry, Physical
- Electrochemistry
- Humans
- Hydrogen-Ion Concentration
- Kinetics
- Models, Molecular