DesertSci has created a new set of tools and utilities for automated all-atom Viper runs.
Fully automated Fragment scans, Atom scans and SMIRKS scans can be routinely launched where scanning is done at every atom position in a ligand.
Additionally, the Proasis system allows for fully automated all-atom scanning for every newly deposited inhouse protein-ligand complex and results can be directly assessed from within the Proasis gui. Search tools are available for finding all Viper runs for any structure, and the results for all structures in a project.
Our new automated all-atom Viper tools provide insights into preferred binding moities in protein binding sites.
We are now creating new functionality to mine sets of hits obtained from large-scale scans.