CGSchNet, a fast machine-learned model, simulates proteins with high accuracy, enabling drug discovery and protein engineering for cancer treatment. Operating significantly faster than traditional all ...

"This work is the first to demonstrate that deep learning can overcome this barrier and lead to a simulation system that approximates all-atom protein simulations without explicitly modeling solvent ...

New computer simulations that model every atom of a protein as it folds into its final three-dimensional form support the existence of a recently identified type of protein misfolding. Subscribe to ...