TR-2023-05
Physics-informed AI to Infer Ligand-induced Folding in Target Proteins
L. Ridgway Scott; Ariel Fernandez. 12 November, 2023.
Communicated by L. Ridgway Scott.
Abstract
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).
