Hotspots API: a python package for the detection of small molecule binding hotspots and application to structure-based drug design
Methods that survey protein surfaces for binding hotspots can help to evaluate target tractability and guide exploration of potential ligand binding regions. Fragment Hotspot Maps builds upon interaction data mined from the CSD (Cambridge Structural Database) and exploits the idea of identifying hot...
| Główni autorzy: | , , , , , , , , , , , |
|---|---|
| Format: | Journal article |
| Język: | English |
| Wydane: |
American Chemical Society
2020
|