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Sponsored Artificial Intelligence: A Modern Approach, Global Edition Artificial Intelligence: A Modern Approach, Global Edition

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Xing-Yuan Kou

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Open access Aug 2026

Molecular dynamics analysis of a docking-derived baicalein–PPARγ ligand-binding-domain model suggests a pocket-associated AF-2-anchor-silent ensemble

Baicalein was examined in a selected docking-derived peroxisome proliferator-activated receptor γ (PPARγ) ligand-binding-domain (LBD) model to test whether pocket association, local helix 12 (H12) organization, and canonical activation function-2 (AF-2) anchoring were coupled under the sampled simulation conditions. Be...

Xing-Yuan Kou, Ping Wu, Zhuo Liu et al. · 0 citations

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