{"paper":{"title":"Exploration of the potential energy surface for the conformational interconversion of the amyloid $\\beta$ peptide at the fibril end","license":"http://creativecommons.org/licenses/by-nc-nd/4.0/","headline":"","cross_cats":["q-bio.BM"],"primary_cat":"physics.bio-ph","authors_text":"Hirotsugu Ogi, Kichitaro Nakajima, Koichi Kusakabe, Motoharu Kitatani, Yasuhiro Oishi","submitted_at":"2025-05-14T05:22:27Z","abstract_excerpt":"The formation of amyloid fibrils comprising amyloid $\\beta$ (A$\\beta$) peptides is associated with the pathology of Alzheimer's disease. In this study, we theoretically investigated the A$\\beta$ structure at the fibril end using the density functional theory calculation. Several twisted conformations were identified as local minima in which a part of the peptide chain bends upward while the rest remains bound to the lower A$\\beta$ monomer. Fibril-to-twisted conformational transition exhibited endothermic behavior, with endothermic energy increasing as more backbone hydrogen bonds were broken. "},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2505.09151","kind":"arxiv","version":1},"verdict":{"id":null,"model_set":{},"created_at":null,"strongest_claim":"","one_line_summary":"","pipeline_version":null,"weakest_assumption":"","pith_extraction_headline":""},"integrity":{"clean":true,"summary":{"advisory":0,"critical":0,"by_detector":{},"informational":0},"endpoint":"/pith/2505.09151/integrity.json","findings":[],"available":true,"detectors_run":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938"},"references":{"count":0,"sample":[],"resolved_work":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57","internal_anchors":0},"formal_canon":{"evidence_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"author_claims":{"count":0,"strong_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"builder_version":"pith-number-builder-2026-05-17-v1"}