Researchers have created the Virtual Lab system, which allows AI agents to work in a scientific team format alongside humans. Unlike conventional chatbots, this architecture builds an entire team of virtual “scientists”: each agent performs its own role — biologist, immunologist, machine learning specialist — and the "principal investigator" (PI agent) coordinates the work. There is even a “scientific critic” who checks the team's conclusions for rigor.
The study describes how AI completed a full cycle of developing new nanobodies — miniature antibodies that bind to viral proteins. First, the system selects source molecules (e.g., Ty1 or Nb21), then uses three key tools:
- ESM — a model that predicts which point mutations in the protein will be useful,
- AlphaFold-Multimer — a tool that builds a 3D structure of the protein,
- Rosetta — a program for assessing how strong the binding to the virus will be.
The process is iterative: first, the AI generates a bunch of options, then picks the best ones based on a few metrics, and finally, the researchers check them out in the lab.
As a result, the system created 92 variants of nanobodies, 90% of which “assembled” well in cells, and two mutants showed improved binding to new variants of the coronavirus, including KP.3 and JN.1. For example, the modified nanobody Nb21 not only retained its ability to bind to old strains, but also became effective against new ones.
Virtual Lab demonstrates that AI can be not just a tool, but a full-fledged partner in scientific research. The system helps overcome the complexity of interdisciplinary tasks that usually require a large team of experts. The authors note that AI still has weaknesses: models can be trained on outdated data, AlphaFold's predictions are not always accurate, and the result depends on the quality of the source data and the configuration of queries.