Discovering optimal kinetic pathways for self-assembly using automatic differentiation

Margaret Johnson and Adip Jhaveri, Spencer Loggia, Yian Qian | Proceedings of the National Academy of Sciences of the United States of America, 2024 

Macromolecular complexes are often composed of diverse subunits. Assembling these monomeric subunits into complexes over time faces fundamental obstacles that can be robustly overcome by exploiting a large design space of kinetic protocols.