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Here, we combine all\u2010atom molecular dynamics simulations with small\u2010angle neutron scattering (SANS) to study mixed micelles of Triton X\u2010100 and its oligomeric analogue Tyloxapol (trimer and heptamer) across eight compositions spanning pure Triton X\u2010100 to pure Tyloxapol. Tyloxapol content and oligomer length control the internal organization of the micelles: Tyloxapol\u2010rich micelles adopt compact, oblate structures containing internal, water\u2010filled cavities formed by headgroup penetration into the hydrophobic core, accompanied by reduced\n                    <jats:italic>\u03c0<\/jats:italic>\n                    \u2013\n                    <jats:italic>\u03c0<\/jats:italic>\n                    stacking between aromatic tail groups. For pure Tyloxapol micelles, SANS corroborates the simulated size, aggregation number, oblate shape, and core hydration. Neighbor analysis shows no preferential association between Triton X\u2010100 and Tyloxapol, consistent with random mixing across all compositions studied, while unsupervised clustering (UMAP\/HDBSCAN) of Tyloxapol conformations shows that the local micelle environment selects for distinct conformational states. Together, these findings identify surfactant oligomerisation as a route to controlling internal micelle architecture, rather than only overall micelle size and shape, with implications for the design of nanocarriers and functional soft materials with tunable internal structure.\n                  <\/jats:p>","DOI":"10.1002\/smsc.70376","type":"journal-article","created":{"date-parts":[[2026,8,22]],"date-time":"2026-08-22T11:16:45Z","timestamp":1787397405000},"source":"Crossref","is-referenced-by-count":0,"title":["Oligomerisation Drives Internal Cavity Formation and Conformational Heterogeneity in Mixed Triton X\u2010100\/Tyloxapol Micelles"],"prefix":"10.1002","volume":"6","author":[{"ORCID":"https:\/\/orcid.org\/0000-0001-7072-8337","authenticated-orcid":false,"given":"Hrachya","family":"Ishkhanyan","sequence":"first","affiliation":[{"name":"Computational Molecular Engineering Lab Institute for Informatics and Automation Problems of the National Academy of Sciences of the Republic of Armenia  Yerevan Republic of Armenia"},{"name":"Biological &amp; Soft Matter Research Group Department of Physics Faculty of Natural, Mathematical &amp; Engineering Sciences King\u2019s College London  London UK"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-0094-5122","authenticated-orcid":false,"given":"David J.","family":"Barlow","sequence":"additional","affiliation":[{"name":"Division of Pharmacy and Optometry School of Health Sciences Faculty of Biology, Medicine and Health University of Manchester Stopford Building  Manchester UK"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-4738-4841","authenticated-orcid":false,"given":"M. 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