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Author

Yumeng Yan

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Open access Jul 2026

Computational Characterization of Multistep Opening Mechanism and Heterogeneous Closing Pathways of Periplasmic Binding protein Ps_PtxB

The results suggest that Ps_PtxB opening proceeds through a multistep process involving early Lobe1-Lobe2 interface decoupling, hinge-associated stabilization, twisting rearrangement, and subsequent coordinated domain motion and suggest that molecular simulation-derived dynamic information can guide interpretable confo...

He Feng, Chen Zeng, Long Chen et al. · 0 citations

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