{"paper":{"title":"Molecular Dynamics Simulation of Folding and Diffusion of Proteins in Nanopores","license":"","headline":"","cross_cats":["physics.bio-ph","physics.comp-ph","q-bio.BM"],"primary_cat":"cond-mat.soft","authors_text":"Leili Javidpour, M. Reza Rahimi Tabar, Muhammad Sahimi","submitted_at":"2007-03-14T21:47:48Z","abstract_excerpt":"A novel combination of discontinuous molecular dynamics and the Langevin equation, together with an intermediate-resolution model, are used to carry out long (several $\\mu$s) simulation and study folding transition and transport of proteins in slit nanopores. Both attractive ($U^+$) and repulsive ($U^-$) interaction potentials between the proteins and the pore walls are considered. Near the folding temperature $T_f$ and in the presence of $U^+$ the proteins undergo a repeating sequence of folding/partially-folding/ unfolding transitions, while $T_f$ decreases with decreasing pore sizes. The op"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"cond-mat/0703387","kind":"arxiv","version":2},"verdict":{"id":null,"model_set":{},"created_at":null,"strongest_claim":"","one_line_summary":"","pipeline_version":null,"weakest_assumption":"","pith_extraction_headline":""},"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"}