Understanding multi-state protein conformations is essential for elucidating their functions and developing targeted therapies. Here, the authors introduce EvoSplit, leveraging MSA Transformer to disentangle coevolutionary signals associated with distinct conformations, outperforming AF-Cluster in modeling fold-switching proteins and identifying new conformations of GTPases and HRAS.
- Shimian Li
- Chengwei Zhang
- Yi Qin Gao
