Computational Enzymology

Computational enzymology is the scientific subdiscipline that applies computational molecular simulation and modeling to enzymes, in particular to simulate enzyme-catalyzed reactions.Computational enzymology is a rapidly developing and maturing scientific area, which is increasingly contributing to understanding mechanisms of enzyme catalysis, as well as for practical applications of enzymes.Computational modeling and simulation have the unique potential to offer detailed, atomic-resolution insight into the dynamics and reactions of biomolecules. Quantum mechanical electronics structure calculations can be useful for modeling reactions in models of enzyme active sites. Larger models can be treated with combined quantum mechanics/molecular mechanics or empirical valence bond methods, with which molecular dynamics simulations can be performed.

 

  • Molecular simulations of enzymes
  • Molecular modelling of enzymes
  • Fundamental mechanism of biological catalysts.
  • Activation of enzymes
  • Inhibition of enzymes

Related Conference of Computational Enzymology

October 18-19, 2018

10th International Congress on Structural Biology

Helsinki, Finland
February 28-March 01, 2019

5th International Conference on Enzymology and Protein Chemistry

Berlin, Germany
March 17-18, 2019

World Congress on Genomics & Bioinformatics

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March 18-19,2019

15th World Congress on

Structural Biology

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May 10-11, 2019

8th Asia Pacific Glycobiology Congress

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8th Glycobiology World Congress

Barcelona, Spain
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8th Glycobiology World Congress

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4th International Conference on Molecular Biology & Nucleic Acids

Chicago, Illinois, USA

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