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 https://www.schrodinger.com/releases/new-features?