July 2021 will become a key date in the history of protein structure based drug discovery (SBDD) with the release of Google’s DeepMind’s twin AlphaFold publications, the release of the source code for AlphaFold v2.0 along with the genetic databases and model parameters, and in partnership with the EBI, the release of AlphaFold DB, providing open access to protein structure predictions for the human proteome and many other organisms.
Proasis4 users will be ideally placed to take the best advantage of these incredible new protein structure data resources, with the Proasis system ready-made for the loading of MODEL structures. Proasis4 can be used for the searching, retrieval, analysis and exploration of all new AF MODEL structures.
DesertSci is preparing the for immediate release of scripts to enable the batch loading of the newly released AF MODEL protein structures available now through AlphaFold DB.
Furthermore, DesertSci is currently developing additional extensions to enable the routine display of residue based confidence scores in AF MODEL structures, and to enable fully automated overlays of individual domains across a set of AF MODEL structures and PDB XRAY structures.
The future is looking very bright for SBDD when you have a powerful protein structure database and visualisation system, such as Proasis4, at your disposal.