thermoMPNN

OVERVIEW

thermoMPNN is an AI-based protocol for performing a full site saturation mutagenesis (SSM) DDG analysis of a protein. A full SSM is generated even if you are only interested in 1 mutation as the entire protocol runs on the order of seconds vs the 10s of minutes per mutation of the older Cartesian DDG tool.

RUNNING THERMO-MPNN

Begin by opening a project in Bench and selecting one structure using the checkbox next to the structure’s name. Then click the ‘thermoMPNN’ button located to the right under ‘Analysis’.

Clicking ‘thermoMPNN’ will open a tab in the center window. Click the green ‘Run’ button to run thermoMPNN.