Design principles, growth laws, and competition of minimal autocatalysts

The difficulty of designing simple autocatalysts that grow exponentially in the absence of enzymes, external drives or ingenious internal mechanisms severely constrains scenarios for the emergence of evolution by natural selection in chemical and physical systems. Here, we systematically analyze these difficulties in the simplest and most generic autocatalyst: a dimeric molecule that duplicates by templated ligation. We show that despite its simplicity, such an autocatalyst can achieve exponential growth autonomously. We also show, however, that it is possible to design as simple sub-exponential autocatalysts that have an advantage over exponential autocatalysts when competing for a common resource. We reach these conclusions by developing a theoretical framework based on kinetic barrier diagrams. Besides challenging commonly accepted assumptions in the field of the origin of life, our results provide a blueprint for the experimental realization of elementary autocatalysts exhibiting a form of natural selection, whether on a molecular or colloidal scale. Autocatalysis plays an important role in the origin of life and molecular evolution, however, designing simple autocatalysts that grow exponentially remains challenging. Here, the authors computationally design simple autocatalysts-- dimeric molecules that duplicate by templated ligation, --and show that these autocatalysts can achieve exponential growth autonomously.