{"paper":{"title":"Charge Transfer Database for Bio-molecule Tight Binding Model Derived from Thousands of Proteins","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["cond-mat.soft"],"primary_cat":"physics.chem-ph","authors_text":"Dongju Zhang, Fang Liu, Hongwei Wang, Jun Gao, Likai Du, Tiange Dong","submitted_at":"2018-02-22T02:13:24Z","abstract_excerpt":"The anisotropic feature of charge transfer reactions in realistic proteins cannot be ignored, due to the highly complex chemical structure of bio-molecules. In this work, we have performed the first large-scale quantitative assessment of charge transfer preference in protein complexes by calculating the charge transfer couplings in all 20*20 possible amino acid side chain combinations, which are extracted from available high-quality structures of thousands of protein complexes. The charge transfer database quantitatively shows distinct features of charge transfer couplings among millions of am"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1802.07873","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":""},"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"}