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File S1 - Protein Dynamics of the HIF-2α PAS-B Domain upon Heterodimerization and Ligand Binding

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Figshare2015-12-02 更新2026-04-29 收录
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https://figshare.com/articles/dataset/_Protein_Dynamics_of_the_HIF_2_945_PAS_B_Domain_upon_Heterodimerization_and_Ligand_Binding_/1000475
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The Supporting Information File S1 contains: Figure S1. Compound 32 and the holo-heterodimeric complex. Figure S2. Definition of the internal pocket. Figure S3. Elastic network model. Figure S4. Dynamic energy landscape model. Figure S5. RMSD of atomic positions. Figure S6. Structural features. Figure S7. Convergence of sampling. Figure S8. Water occupancy. Figure S9. Free energy along the twisting and bending coordinates. Figure S10. Free energy error estimation. (DOCX)
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2015-12-02
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