The druggable genome: Twenty years later
- BiologyFrontiers in Bioinformatics
A scalable, automated workflows that provide hotspot-based druggability assessments for all available structures across large numbers of targets and believes that graph-based AI methods will be able to expertly navigate such a knowledge graph, selecting the targets of the future.
Are Deep Learning Structural Models Sufficiently Accurate for Virtual Screening? Application of Docking Algorithms to AlphaFold2 Predicted Structures
- Biology, Computer SciencebioRxiv
The results indicate that using out-of-the-box Alphafold2 models in rigid receptor ligand docking is not an ideal scenario; one might think in including some post processing modeling to drive the binding site into a more realistic holo target model.