{"id":"W3204953505","doi":"10.1021/acscentsci.1c00802","title":"Probe Confined Dynamic Mapping for G Protein-Coupled Receptor Allosteric Site Prediction","year":2021,"lang":"en","type":"article","venue":"ACS Central Science","topic":"Receptor Mechanisms and Signaling","field":"Biochemistry, Genetics and Molecular Biology","cited_by":27,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"Biotechnology and Biological Sciences Research Council; Engineering and Physical Sciences Research Council; European Commission; Queen's University; Queen's University Belfast; Max-Planck-Gesellschaft; Medical Research Council; Barts Charity","keywords":"Allosteric regulation; G protein-coupled receptor; Allosteric enzyme; Chemistry; Allosteric modulator; Biophysics; Small molecule; Receptor; Biochemistry; Biology","routes":{"ca_aff":false,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002798811,0.000112833,0.00009992787,0.00002753447,0.0002237246,0.00008742764,0.0001899731,0.00007636412,0.00007843344],"category_scores_gemma":[0.0001477389,0.0001063405,0.00005907891,0.0002449458,0.00009327928,0.00001489101,0.00009495504,0.00005057016,0.000005423537],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00004206568,"about_ca_system_score_gemma":0.0002665168,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000006435697,"about_ca_topic_score_gemma":0.000009762445,"domain_scores_codex":[0.9986748,0.00001992911,0.0001753923,0.0004791042,0.0001943839,0.0004563991],"domain_scores_gemma":[0.9994043,0.00000405639,0.00007221275,0.0002049286,0.0001960003,0.0001185477],"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":[0.00002242479,0.00002357786,0.0001274445,0.00001841309,0.000007413468,8.207804e-7,0.00006493773,0.0000371762,0.9979448,0.0001878493,0.000054056,0.001511042],"study_design_scores_gemma":[0.0003476566,0.0001479759,0.0006064505,0.00003051377,0.000005442395,0.000007324633,0.0000858373,0.003677753,0.987554,0.00008192172,0.007315232,0.0001399267],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9271956,0.0001843043,0.07135241,0.0002059828,0.0004217565,0.0005172219,0.00003042795,0.00001942142,0.00007288659],"genre_scores_gemma":[0.9870042,0.00004231373,0.01148737,0.0001379653,0.0001321148,0.00006806483,0.0001809654,0.00001204723,0.0009349344],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.05986504,"threshold_uncertainty_score":0.4336441,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.009410523533694492,"score_gpt":0.228913812672901,"score_spread":0.2195032891392065,"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."}}