Guardado en:
| Autores principales: | , , |
|---|---|
| Formato: | Recurso digital |
| Lenguaje: | |
| Publicado: |
Zenodo
2026
|
| Acceso en línea: | https://doi.org/10.5281/zenodo.18315809 |
| Etiquetas: |
Agregar Etiqueta
Sin Etiquetas, Sea el primero en etiquetar este registro!
|
Tabla de Contenidos:
- <p><strong>1. Identification of differentially expressed genes in breast cancer cells: </strong>R scripts and output files used to identify differentially expressed genes from the GSE71862 RNA-seq dataset using DESeq2.</p> <p><strong>2. Construction of protein interaction networks to identify BK channel partners: </strong>Files used to build and analyze BK-centered protein–protein interaction networks and to prioritize candidate interactors based on functional and disease relevance.</p> <p><strong>3. Identification of protein-protein contact regions: </strong>Scripts and outputs used to identify consensus interface residues between the BK channel and selected partners from multiple computational predictors.</p> <p><strong>4. Molecular docking of protein-protein interactions: </strong>Input structures, docking configurations, and representative models generated for BK complexes using HADDOCK and Rosetta MPDock.</p> <p><strong>5. Coarse-grained molecular dynamics simulations: </strong>System setup files and simulation inputs used for coarse-grained molecular dynamics simulations of BK protein complexes in a lipid bilayer.</p> <p><strong>6. Design of peptide inhibitors of the BK-LINGO1 complex: </strong>Input/output files used for de novo peptide design targeting the BK–LINGO1 interface and for subsequent binding evaluation by molecular dynamics and MM/GBSA.</p>