{"id":"W4238358441","doi":"10.1002/ange.201204903","title":"Conformer Selection and Intensified Dynamics During Catalytic Turnover in Chymotrypsin","year":2012,"lang":"en","type":"article","venue":"Angewandte Chemie","topic":"Protein Structure and Dynamics","field":"Biochemistry, Genetics and Molecular Biology","cited_by":5,"is_retracted":false,"has_abstract":true,"ca_institutions":"York University","funders":"","keywords":"Selection (genetic algorithm); Chemistry; Computer science; Artificial intelligence","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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002839061,0.0001325223,0.0002499838,0.0001951837,0.0004491981,0.0006387755,0.0002523243,0.000278665,0.002405434],"category_scores_gemma":[0.0007476346,0.0001816249,0.0001340132,0.0001501911,0.0004410897,0.0008671258,0.0003673112,0.0004038706,0.0002444854],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003516273,"about_ca_system_score_gemma":0.0001864054,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0004735879,"about_ca_topic_score_gemma":0.0004675199,"domain_scores_codex":[0.9999416,0.000008851282,0.000002728774,0.00001620358,0.00001299211,0.00001758296],"domain_scores_gemma":[0.9998524,0.00005145498,0.00002482535,0.00002347171,0.00001461277,0.00003322946],"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":[0.001880052,0.0008569599,0.01808527,0.0004432004,0.0001599534,0.002245608,0.003077261,0.09184232,0.6403847,0.1665611,0.006130488,0.06833319],"study_design_scores_gemma":[0.0003870362,0.00120048,0.02788749,0.00006014716,0.0001062595,0.0009804232,0.0007774196,0.7354957,0.1503609,0.07415804,0.008442634,0.0001433264],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9933743,0.0001522977,0.003896018,0.0001444265,0.00001537232,0.000008310972,0.00002864953,0.0001206589,0.002259904],"genre_scores_gemma":[0.9986538,0.00007649673,0.0006381488,0.00001771576,0.000002869813,0.000008081526,0.00003540512,0.00001936227,0.0005481041],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002405434,"threshold_uncertainty_score":0.008046985,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.006612189242444493,"score_gpt":0.2223442069013876,"score_spread":0.2157320176589431,"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."}}