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 ...

It has long been thought that protein function and stability are highly sensitive to changes in the composition of the internal structures, or protein cores. However, a large-scale experiment probing ...

In an interview with Technology Networks, Dr. Daniel Reker discusses how machine learning is improving data-scarce areas of drug discovery.