Computational design of a human butyrylcholinesterase mutant for accelerating cocaine hydrolysis based on the transition-state simulation

Angew Chem Int Ed Engl. 2006 Jan 16;45(4):653-7. doi: 10.1002/anie.200503025.
No abstract available

Publication types

  • Research Support, N.I.H., Extramural

MeSH terms

  • Binding Sites
  • Butyrylcholinesterase / chemistry*
  • Butyrylcholinesterase / genetics
  • Catalysis
  • Cocaine / chemistry*
  • Computational Biology*
  • Computer-Aided Design*
  • Enzyme Activation
  • Humans
  • Hydrogen Bonding
  • Hydrolysis
  • Molecular Structure
  • Mutation
  • Stereoisomerism

Substances

  • Butyrylcholinesterase
  • Cocaine