Author

D. Kleiman

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Open access Aug 2026

Pi-Ensemble: Sequence-guided generation of interpolated protein conformational ensembles

Pi-Ensemble (Predicting Interpolated Ensemble), a sequence-guided framework for generating protein conformational ensembles interpolating between two structural anchor states, provides an extensible framework for studying protein flexibility, guiding adaptive sampling, and accelerating mechanistic investigations of protein function.

Hassan Nadeem, D. Kleiman, Yuming Zhou et al. · bioRxiv · 0 citations