2026-10-14T14:56:22Z https://api.figshare.com/v2/oai

oai:figshare.com:article/34027494 2026-09-29T20:01:50Z category_4 category_13 category_14 category_873 category_46 category_734 category_64 portal_5 item_type_6 month_year_09_2026

<p>Molecular dynamics simulations analysis of FABP5–IKKβ complex.</p> Rui An (636731) Shibing Hou (2288815) Min Hong (279203) Jiaorong Zhen (23973891) Zhijuan Wang (1900771) Haoming Huang (12791303) Weixuan Zhao (12058148) Mianmian Liao (10916520) Weiqu Yuan (23973893) Danping Huang (196661) Biochemistry Genetics Molecular Biology Chemical Sciences not elsewhere classified Immunology Biological Sciences not elsewhere classified Cancer xlink "> tcga predicted worse survival independent prognostic factor experimental validation confirmed nf -&# 954 epithelial &# 8211 protein &# 8211 xlink "> fabp5 fabp5 correlated positively immune checkpoint profiles higher tide scores b &# 945 b &# 8211 b pathway genes identify potential fabp5 characterize fabp5 expression duplicate md simulations fabp5 drives pd hcc cell proliferation &# 954 tide scores b pathway therapeutic potential protein docking decreased expression cell rna promising fabp5 fabp5 shapes fabp5 regulates fabp5 knockdown vitro assays targeting compound significantly upregulated seq datasets related pathways regulatory role molecular dynamics molecular docking mesenchymal transition lipid metabolism l1 via l1 upregulation l1 axis immunosuppressive microenvironment <p>(A) Hydrogen bond analysis between FABP5 and IKKβ. (B) RMSF analysis of the FABP5–IKKβ complex. (C) Residue free energy decomposition identifying key amino acid residues contributing to stabilization of the FABP5–IKKβ complex. (D) Binding free energies analysis based on representative complex conformations.</p> <p>(DOCX)</p> 2026-09-29T20:01:47Z Text Journal contribution 10.1371/journal.pone.0356359.s002 https://figshare.com/articles/journal_contribution/_p_Molecular_dynamics_simulations_analysis_of_FABP5_IKK_complex_p_/34027494 CC BY 4.0