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Electrostatic steering of substrate to acetylcholinesterase: analysis of field fluctuations.

Research paper by S T ST Wlodek, T T Shen, J A JA McCammon

Indexed on: 19 Feb '00Published on: 19 Feb '00Published in: Biopolymers



Abstract

Based on previous molecular dynamics simulation results for acetylcholinesterase dimer, we calculate and analyse the electrostatic field fluctuations around the enzyme. The results show that dynamic features of the electrostatic field favor attraction of the positively-charged substrate. An Internet link to an animation of the results is also provided.