Now showing items 1-2 of 2

    • Computational studies of biomolecules 

      Chen, Sih-Yu (University of St Andrews, 2017-06-21) - Thesis
      In modern drug discovery, lead discovery is a term used to describe the overall process from hit discovery to lead optimisation, with the goal being to identify drug candidates. This can be greatly facilitated by the use ...
    • A Random Forest model for predicting allosteric and functional sites on proteins 

      Chen, Ava S.-Y.; Westwood, Nicholas J.; Brear, Paul; Rogers, Graeme W.; Mavridis, Lazaros; Mitchell, John B. O. (2016-04-05) - Journal article
      We created a computational method to identify allosteric sites using a machine learning method trained and tested on protein structures containing bound ligand molecules. The Random Forest machine learning approach was ...