Automated assembly of protein complexes from cryo-EM maps with structure-informed Monte Carlo Tree Search (opens in new tab)

Structural cell biology aims to visualize and identify functional molecules in their native environment. Macromolecular complexes have thus far been resolved predominantly at intermediate resolutions. This poses a major challenge for modeling due to the vast combinatorial space of possible components within a proteome. Here, we developed Cryosearch, a system for automated modeling of macromolecular complexes from proteome-scale monomer libraries. We implemented Monte Carlo tree search with co...