Computational Enzymology

 Molecular level of chemical stimulations is being changing the science of enzymology. Calculations can provide accurate details, Atomic-level and molecular level insight into the core fundamental mechanisms of biological catalysts. Computational enzymology is a rapidly developing area in the field of enzymology, and is testing theories of catalysis of enzymes, replacing textbook mechanisms, and identifying novel approaches for Increasingly, it is contributing directly to experimental studies involved in the enzyme-catalyzed reactions. Potential and practical applications include interpretation of experimental data, novel catalyst design and drug development.


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

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