Houjun Liu


RoseTTAFold2 is a three-track folding tool, which also handles multimer!

  1. inputs: amino acid sequence + CHEMICAL structure (WOAH! how?)
  2. “RF2 all-atom embedding”
  3. fold!

The model does really well!

application: de-novo luciferase design

  1. come up with the correct shaped scaffolds
  2. use old Rosetta to jam a residue sequence into the scaffold
  3. refold

application: RoseTTAFold2 in-painting

Train the model to recover the missing bits of sequence from the overall structure (i.e. training backwards), and