Resolving Conformational Heterogeneity in IntrinsicallyDisordered Proteins via Experimentally Guided Multi-Replica Simulations
Wenqi Yang, Sichun Yang, Wenwei Zheng
The paper introduces MARS, a simulation framework that resolves conformational heterogeneity in IDPs by integrating experimental data from SAXS and PRE, revealing two major states in ER-NTD.
bioRxiv · Feb 3, 2026 · PreprintBiophysics