Physics-informed AI to Infer Ligand-induced Folding in Target Proteins

L. Ridgway Scott; Ariel Fernandez. 12 November, 2023.
Communicated by L. Ridgway Scott.


We propose a hybrid, physics-informed, AI approach to enhance the impact of homology modeling (AlphaFold2) for the identification of targetable structures in drug-discovery. This approach remedies deficiencies in structural databases due to under-represented regions associated with structural plasticity.

Original Document

The original document is available in PDF (uploaded 12 November, 2023 by L. Ridgway Scott).