Vikas Nanda has spent more than two decades studying the intricacies of proteins, the highly complex substances present in all living organisms. The Rutgers scientist has long contemplated how the unique patterns of amino acids that comprise proteins determine whether they become anything from hemoglobin to collagen, as well as the subsequent, mysterious step of self-assembly where only certain proteins clump together to form even more complex substances.
So, when scientists wanted to conduct an experiment pitting a human—one with a profound, intuitive understanding of protein design and self-assembly—against the predictive capabilities of an artificially intelligent computer program, Nanda, a researcher at the Center for Advanced Biotechnology and Medicine (CABM) at Rutgers, was one of those at the top of the list.
Now, the results to see who—or what—could do a better job at predicting which protein sequences would combine most successfully are out. Nanda, along with researchers at Argonne National Laboratory in Illinois and colleagues from throughout the nation, reports in Nature Chemistry that the battle was close but decisive. The competition matching Nanda and several colleagues against an artificial intelligence (AI) program has been won, ever so slightly, by the computer program.
Scientists are deeply interested in protein self-assembly because they believe understanding it better could help them design a host of revolutionary products for medical and industrial uses, such as artificial human tissue for wounds and catalysts for new chemical products.
“Despite our extensive expertise, the AI did as good or better on several data sets, showing the tremendous potential of machine learning to overcome human bias,” said Nanda, a professor in the Department of Biochemistry and Molecular Biology at Rutgers Robert Wood Johnson Medical School.
Proteins are made of large numbers of amino acids joined end to end. The chains fold up to form three-dimensional molecules with complex shapes. The precise shape of each protein, along with the amino acids it contains, determines what it does. Some researchers, such as Nanda, engage in “protein design,” creating sequences that produce new proteins. Recently, Nanda and a team of researchers designed a synthetic protein that quickly detects VX, a dangerous nerve agent, and could pave the way for new biosensors and treatments.
