{"id":"W2095260023","doi":"10.1016/s0006-3495(02)75576-8","title":"Molecular Mechanism of H+ Conduction in the Single-File Water Chain of the Gramicidin Channel","year":2002,"lang":"en","type":"article","venue":"Biophysical Journal","topic":"Spectroscopy and Quantum Chemical Studies","field":"Physics and Astronomy","cited_by":271,"is_retracted":false,"has_abstract":false,"ca_institutions":"SickKids Foundation; Hospital for Sick Children; University of Toronto","funders":"","keywords":"Molecule; Hydrogen bond; Chemistry; Chemical physics; Hydrogen; Molecular dynamics; Gramicidin; Proton; Crystallography; Thermal conduction; Acceptor; Materials science; Computational chemistry; Membrane; Physics; Condensed matter physics","routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":false},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00008200295,0.00008759843,0.0001559956,0.00001831444,0.00007573192,0.00001198448,0.000190287,0.00002257905,0.0002675377],"category_scores_gemma":[0.000005486711,0.0000401584,0.0001623131,0.0001134984,0.00009580921,0.00003800934,0.00004069195,0.000218097,0.000004516809],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00001209027,"about_ca_system_score_gemma":0.000002736443,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00002915786,"about_ca_topic_score_gemma":3.239288e-7,"domain_scores_codex":[0.9993047,0.00006467852,0.0002013927,0.00007952215,0.00018119,0.0001685812],"domain_scores_gemma":[0.9997059,0.00003269637,0.0001008759,0.0001078396,0.00003232009,0.00002033601],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.000005882399,0.0003014368,0.00002287572,0.000003353295,0.00002681296,8.976535e-7,0.0004965122,0.00001273906,0.98028,0.01842332,0.0002073276,0.0002188203],"study_design_scores_gemma":[0.0002064326,0.00007754301,0.0001010565,0.0000231724,0.00001649645,0.000003090601,0.0004284346,0.0004711332,0.9799237,0.01861565,0.00007813974,0.00005510442],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9979126,0.00001723179,0.0004699189,0.0007818344,0.0001036504,0.00007306395,0.00002108228,0.000002178527,0.0006184733],"genre_scores_gemma":[0.9997028,0.000002046232,0.00001813987,0.00004292033,0.0002056818,0.000004920689,0.00000226476,0.000005451656,0.00001581929],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001790189,"threshold_uncertainty_score":0.292935,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01969799597207439,"score_gpt":0.2228574302584095,"score_spread":0.2031594342863351,"validation_status":"score_only:v0-immature-baseline","note":"Baseline scores from an immature model (maturity gate not passed). Scores rank; they never assert a category."}}