Listen to this story Life sciences have undergone a radical change as a result of artificial intelligence-powered protein model prediction. The Netherlands Cancer Institute’s biochemists present AlphaFill, an algorithm that ‘transplants’ missing small molecules and ions from experimentally determined structures to protein-prediction models using sequence and structure similarity. None of the existing protein models in the AlphaFold protein structure database contains coordinates for small molecules necessary for their molecular structure or function; for example, haemoglobin does not contain bound heme. Additionally, there are no ligands or cofactors, and none of the ATPases or kinases is associated with ADP or ATP….