Artificial Intelligence Set to Reverse Engineer Drug Targeting in the Cell
Ariel Fernández · ACS Pharmacology & Translational Science · 2021
High Resolution Image Download MS PowerPoint Slide 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.