New AlphaFold2 releases into Proasis

DesertSci continues to provide up-to-date coverage of new releases from DeepMind’s AlphaFold2.

In addition to loading medchem relevant full-length models into production installations of Proasis, all Kinase domains from Human, Mouse, and Rat proteomes can similarly be easily loaded.

In order to work efficiently with much larger numbers of model protein structures, while not diluting the high value of the experimental x-ray structure data, pop-up versions of Proasis are now routinely available. These pop-up versions are ‘seeded’ with a number of key medchem relevant experimental protein structures, enabling easy navigation of the diverse space of the model protein structure data.

The following pop-up versions of Proasis are routinely available (loaded with data from https://alphafold.ebi.ac.uk/)
Release 1 (from July 2021) included 20 model organism proteomes
Release 2 (from December 2021) Swiss-Prot, from UniProt 2021_04
Release 3 (from January 2022) a collection of proteomes relevant to global health, taken from priority lists compiled by the World Health Organisation

The latest pop-up Proasis version is version 4 tar files of Release 3.

DesertSci is also on track to provide pop-up Proasis versions encompassing AlphaFold2 model structures from specific protein families relevant to medchem, encompassing antibody experimental x-ray structures, and encompassing modelling results from CADD software.