Awesome

Small molecule binding pseudocycles/Small molecule induced dimers

• Relevant protein design script for De novo design of diverse small molecule binders and sensors using Shape Complementary Pseudocycles https://www.biorxiv.org/content/10.1101/2023.12.20.572602v1 Twitter: @alchemist_an

Key references

Pyrosetta: https://www.pyrosetta.org/

pseudocycle: https://github.com/LAnAlchemist/Psedocycles_NSMB.git

AF2: https://github.com/google-deepmind/alphafold.git

ProteinMPNN: https://github.com/dauparas/ProteinMPNN.git

ligandMPNN: https://github.com/dauparas/LigandMPNN

Install

All necessary program and conda environemnt installation can be done following instruction in https://github.com/LAnAlchemist/Pseudocycle_small_molecule_binder