Macs in Chemistry

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Schrödinger Software Release 2021-3


This quarterly release includes:

  • Intuitive enhancement of the protein preparation workflow and kinase conservation annotations for structure enablement
  • Addition of filters to improve drug-likeness for medical chemistry design using Ligand Designer
  • A new diversity approach to select compounds for Active Learning Glide workflows for hit discovery and lead optimization
  • Greater control of custom R-group enumerations for hit discovery and lead optimization for multiple simultaneous substitutions

A detailed account of this release is available

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