De novo protein ligand design including protein flexibility and conformational adaptation.

Key Points

• The research aims to develop a novel approach for designing protein ligands that accounts for protein flexibility and conformational changes.
• Utilizes public datasets for designing ligands.
• Incorporates algorithms for assessing protein flexibility.
• Provides source code for implementation on GitHub.
• Introduced a framework for ligand design that adapts to protein conformations.
• Demonstrated the effectiveness of the approach with examples.