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Manchester Institute of Biotechnology

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Modelling and data science

We have established expertise for in silico enzymology, including molecular dynamics simulation simulations.

The full breadth of computational methods are used, from density-functional theory (DFT) to molecular mechanics, and hybrid quantum‐mechanics/molecular‐mechanics (QM/MM) approaches.

A large number of algorithms have also been developed that broadly fall into several areas:

  • Analysis of gene/protein sequence data for genome mining and metabolic network analysis.
  • Tools to aid the design for synthetic gene and proteins.
  • Analysis of protein structure and function relationships in proteins and other biological molecules (e.g. solubility and stability).

Discover more about our downloadable software.