Collaborative drug discovery for More Medicines for Tuberculosis (MM4TB)

  • Sean Ekins, Anna Coulon Spektor, Alex M. Clark, Krishna Dole, Barry A. Bunin
  • Drug Discovery Today, November 2016, Elsevier
  • DOI: 10.1016/j.drudis.2016.10.009

CDD for MM4TB

What is it about?

An overview of the role of CDD in the MM4TB collaboration. It covers the role of the software and support providing cheminformatics to this project.

Why is it important?

Pulling all the data together from such a large project is complex. There was HTS and low throughput screens. In addition there was virtual screening followed by in vitro testing. This article describes many of the roles CDD was involved in and how the software developed with some feedback from this and other collaborative projects. This could be considered as a model for how other large scale collaborations could leverage such software and computational resources.

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http://dx.doi.org/10.1016/j.drudis.2016.10.009

The following have contributed to this page: Dr Sean Ekins