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Shape-based Methods in Virtual Screening and Lead Hopping Webinar

Written by: OpenEye Scientific

Date: May 01, 2013

Shape-based Methods in Virtual Screening and Lead Hopping Webinar

Join us for our webinar "Shape-based Methods in Virtual Screening and Lead Hopping" presented by Paul Hawkins, Ph.D., Applications Science Group Leader from OpenEye.

This webinar was originally held on May 1, 2013. Access the on-demand recording below.

In this webinar we will cover:

  • ROCS as a shape-based similarity tool
  • ROCS for virtual screening:
    • The definition of a suitable null model for ROCS in VS and comparison of ROCS’ performance versus that null model.
    • The successful application of ROCS to virtual screening problems with a varying levels of available structural information using published data.
  • ROCS for alignment
  • The GUI for ROCS, vROCS.
    • Using vROCS to customize queries for ROCS and quantitatively assess their virtual screening performance.
  • The successful application of ROCS to virtual screening problems with a varying levels of available structural information.

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