Starting at Go: Protein structure prediction succumbs to machine learning

Abstract

This year’s Albert Lasker Basic Medical Research Award recognizes the invention of AlphaFold, a revolutionary advance in the history of protein research which for the first time offers the practical ability to accurately predict the three-dimensional arrangement of amino acids in the vast majority of proteins on a genomic scale on the basis of sequence alone [J. Jumper et al. , Nature 596 , 583–589 (2021) and K. Tunyasuvunakool et al., Nature 596 , 590–596 (2021)]. This extraordinary achievement by Demis Hassabis and John Jumper and their coworkers at Google’s DeepMind and other collaborators was built on decades of experimental protein structure determination (structural biology) as well as the gradual development of multiple strategies incorporating biologically inspired statistical approaches. But when Jumper and Hassabis added a brew of innovative neural network-based machine learning approaches to the mix, the results were explosive. Realizing the half-century-old dream of predicting protein structure has already accelerated the pace and creativity of many areas of Chemistry, Biology, and Medicine.