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| Molekularno spajanje× | Topologija mreže PPI× | |
|---|---|---|
| Područje | Bioinformatika | Bioinformatika |
| Obitelj | Process / pipeline | Process / pipeline |
| Godina nastanka≠ | 1982 | 2000 |
| Tvorac≠ | Irwin Kuntz | Peter Uetz |
| Vrsta≠ | Binding prediction pipeline | Network analysis pipeline |
| Temeljni izvor≠ | Kuntz, I. D., Blaney, J. M., Oatley, S. J., Langridge, R., & Ferrin, T. E. (1982). A geometric approach to macromolecule-ligand interactions. Journal of Molecular Biology, 161(2), 269-288. DOI ↗ | Uetz, P., Giot, L., Cagney, G., Mansfield, T. A., Judson, R. S., Knight, J. R., ... & Lomax, J. (2000). A comprehensive analysis of protein-protein interactions in Saccharomyces cerevisiae. Nature, 403(6770), 623-627. DOI ↗ |
| Drugi nazivi≠ | protein-ligand docking, binding prediction | protein interaction networks, interactome analysis, network topology |
| Srodne≠ | 4 | 3 |
| Sažetak≠ | Molecular docking predicts the preferred binding orientation and affinity of a ligand (small molecule) within a protein binding pocket. Pioneered by Kuntz and colleagues in 1982, this computational method searches conformational space to find energetically favorable ligand-protein complexes, enabling rapid screening of chemical libraries for drug discovery. | Protein-protein interaction network analysis identifies and characterizes the structural properties of cellular interaction networks. Pioneered by Uetz and colleagues through large-scale yeast two-hybrid screening, this approach reveals topological features like hubs, modules, and motifs that encode functional organization and disease associations. |
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