Artificial Intelligence Deconstructs Drug Targeting in Vivo by Leveraging a Transformer Platform

FERNÁNDEZ, ARIEL

ACS Medicinal Chemistry Letters

American Chemical Society

Año: 2021 vol. 12 p. 1052 - 1055

Lead optimization in structure-based drug design ultimately requires that the therapeutic agent be evaluated in the cellular context. However, the in vivo control of the target structure remains unyielding to computational modeling. This situation may change as transformer technologies enable a deconstruction of in vivo cooperativity steering drug-induced protein folding.