Xiong-Jie Xiao

CS-SelectFold: Chemical-Shift-Guided Selection of Protein Hidden Conformations from a Generative Protein Structure Model

Low-populated protein excited states can play decisive roles in function, ligand recognition, and misfolding, but their structural characterization remains difficult because these conformations are transient and sparsely populated. Here, we present CS-SelectFold, a framework that combines generative conformational sa...