Artificial Intelligence Set to Reverse Engineer Drug Targeting in the Cell

FERNÁNDEZ, ARIEL

ACS Pharmacology and Translational Science

American Chemical Society

Año: 2021 vol. 4 p. 1256 - 1259

Therapeutic drugs are required to target proteins in the cell, not in vitro. Yet, drug-induced protein folding in vivo is off limits to computational modeling efforts. This situation may change as artificial intelligence empowers molecular dynamics and enables the deconstruction of in vivo cooperativity for structural adaptation.