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SZMAP: Using a solvent approach for structure-based drug design

SZMAP: Using a solvent approach for structure-based drug design

Join us for our webinar "Using a semi-continuum solvent approach to guide structure-based drug design" presented by Matt Geballe, Ph.D. Applications Scientist from OpenEye.

In this webinar we will cover:

  • An introduction to treatment of solvent and the semi-continuum approach used in SZMAP.
  • How the SZMAP approach is focused on the problem of Lead Optimization
  • Examples of using SZMAP to guide ligand design through
    – Suggesting small modifications to improve an existing ligand scaffold
    – Identifying when neighboring water molecules may be influencing ligand binding

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