Computational Enzymology

Molecular simulations and modelling means altering the science of enzymology. Computational enzymology is a rapidly developing area, and is studying the theories of catalysis, challenging 'textbook' mechanisms, and also identifying the novel catalytic mechanisms. Also increasingly, modelling is contributing directly towards the experimental studies of the enzyme-catalysed reactions. Potential practical applications in this area include interpretation of the experimental datas, catalyst design and also drug development.

  • Molecular simulations of enzymes
  • Molecular modelling of enzymes
  • Fundamental mechanisms of biological catalysts

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