{"id":"W4200268748","doi":"10.3390/biom11121823","title":"Mechanism of Zn2+ and Ca2+ Binding to Human S100A1","year":2021,"lang":"en","type":"article","venue":"Biomolecules","topic":"S100 Proteins and Annexins","field":"Biochemistry, Genetics and Molecular Biology","cited_by":9,"is_retracted":false,"has_abstract":true,"ca_institutions":"Western University","funders":"Russian Science Foundation","keywords":"Biophysics; Chemistry; Calcium; Motility; Conformational isomerism; Zinc; Binding site; Plasma protein binding; Receptor; Crystallography; Biochemistry; Cell biology; Biology; Molecule","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":[0.0000619788,0.00009379646,0.0001044401,0.00004027832,0.00005922343,0.00001814451,0.0000792486,0.00007735284,0.00002416517],"category_scores_gemma":[0.00003628664,0.0000925339,0.00004796311,0.00009168123,0.00004595237,0.000001458952,0.0001571451,0.000025514,0.00000539574],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00000380994,"about_ca_system_score_gemma":0.00003252996,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00003400125,"about_ca_topic_score_gemma":0.00006850891,"domain_scores_codex":[0.9993851,0.00002466453,0.0001210162,0.0002514072,0.00007410041,0.000143681],"domain_scores_gemma":[0.9996206,0.000002677429,0.00003475691,0.0002048166,0.00006213866,0.00007503136],"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":[0.000006394086,0.00002826562,0.0001583079,0.00001603535,0.00002135683,0.00001334817,0.00002779548,3.202563e-7,0.990568,0.008014316,0.0002624499,0.0008833767],"study_design_scores_gemma":[0.0001886303,0.0001740575,0.0004545077,0.00002150871,0.000008024985,0.00001766787,0.0001333025,0.000001915815,0.991812,0.0002633698,0.006804974,0.0001200378],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9958264,0.0005922353,0.0020232,0.00017715,0.00004868841,0.00008105704,0.00002876391,0.00000767995,0.001214819],"genre_scores_gemma":[0.996909,0.00004634037,0.002024515,0.0001942222,0.00006836286,0.000008392928,0.00004912036,0.00001493611,0.0006850846],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.007750946,"threshold_uncertainty_score":0.3773423,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01332192772000544,"score_gpt":0.2656996484498358,"score_spread":0.2523777207298304,"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."}}