HOME > CAPABILITIES > In Silico Molecular Modelling

We develop and apply state of the art computational approaches to assist in many aspects of drug discovery, both for small molecules and proteins. We also apply such approaches to the optimization of proteins and enzymes for industrial application including use in synthetic biology.


In Silico

Prosarix uses advanced protein engineering algorithms to improve P450 activity


Prosarix has developed ProtoDiscovery‚ĄĘ, a validated, state-of-the-art computational platform with which it is pioneering novel approaches for the identification and optimisation of small molecules and proteins. Our approach is that whilst off-the-shelf computational solutions are sometimes effective, our considerable experience has helped us identify and develop optimised methods and technology for achieving success, even with some projects where others have failed. To this end Prosarix have worked with over 40 companies, many with repeat business and valuable outcomes. Our technology has been developed to meet complex and varied needs of customers over the years.

Our methods are differentiated, providing a number of USPs, including:

  • Highly accurate affinity prediction through proprietary ProScoreRF method
  • Multi-target and ‘profiling’ capabilities
  • Flexible treatment of proteins and solvent
  • Unique prediction and modelling capabilities for altering protein sequences and structure whilst retaining or improving activity

This translates to a unique ability compared to our competitors. As well as applying our technology to more conventional small molecule compounds, we also have novel methods for protein engineering and can reliably optimise protein interfaces to assist biologic development.