{"id":"W2052276863","doi":"10.1063/1.3671986","title":"Understanding the EF-hand closing pathway using non-biased interatomic potentials","year":2012,"lang":"en","type":"article","venue":"The Journal of Chemical Physics","topic":"Protein Structure and Dynamics","field":"Biochemistry, Genetics and Molecular Biology","cited_by":15,"is_retracted":false,"has_abstract":true,"ca_institutions":"Université de Montréal","funders":"Natural Sciences and Engineering Research Council of Canada; Canada Research Chairs","keywords":"Calmodulin; EF hand; Closing (real estate); Helix (gastropod); Molecular dynamics; Biophysics; Mechanism (biology); Troponin C; Chemistry; Protein structure; Physics; Computational biology; Calcium; Biology; Biochemistry; Troponin; Computational chemistry","routes":{"ca_aff":true,"ca_fund":true,"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":[0.0003802452,0.0001192729,0.000145236,0.00001003488,0.0001200789,0.00003607026,0.0002609989,0.00007722729,0.000002527707],"category_scores_gemma":[0.00004137397,0.00006550091,0.0001350599,0.00006487002,0.0001567296,0.00001342235,0.00009671555,0.0002331643,7.428264e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00004937916,"about_ca_system_score_gemma":0.00005686009,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000002033163,"about_ca_topic_score_gemma":1.841365e-7,"domain_scores_codex":[0.9992652,0.00006669815,0.0002332927,0.00006063791,0.0001584751,0.0002157046],"domain_scores_gemma":[0.9993762,0.00004352539,0.000260263,0.0001929468,0.00006289762,0.00006414873],"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":[0.00009614926,0.00002039226,0.00005814499,0.000006807164,0.00006610929,5.335483e-7,0.0002195773,0.0002152635,0.9988254,0.0001222439,0.0001268917,0.0002425117],"study_design_scores_gemma":[0.0003072165,0.00003498229,0.00001391162,0.00004012977,0.00007457173,0.0001003065,0.0001303303,0.0007050091,0.9934169,0.004965231,0.0001168546,0.00009456302],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.8075741,0.0003395763,0.1916881,0.00006218706,0.0001693944,0.00005929157,0.000003303218,0.000001185633,0.000102809],"genre_scores_gemma":[0.9978324,0.00001786053,0.0003810465,0.0002479038,0.001494259,3.295576e-7,0.000004045572,0.00001677499,0.000005410201],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.1913071,"threshold_uncertainty_score":0.2671049,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.03673934637411562,"score_gpt":0.2651994273933313,"score_spread":0.2284600810192157,"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."}}