Computational Approaches and Collaborative Drug Discovery for Trypanosomal Diseases

  • Sean Ekins, Barry A. Bunin
  • April 2013, Wiley
  • DOI: 10.1002/9783527670383.ch5

Modeling trypanosomal diseases

What is it about?

A short review of T Cruzi and T Brucei datasets and modeling. We describe how the CDD database can be used for collaboration with this data.

Why is it important?

We show how big datasets in CDD can be used for computational models. We describe Bayesian models fro T Brucei which can be used for selecting new compounds to test against this disease. We propose collaboration and sharing of such data and models could be useful for the neglected disease community.


Dr Sean Ekins
Collaborations in Chemistry

This work set the stage for writing a grant and the later work on T. Cruzi.

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The following have contributed to this page: Dr Sean Ekins