{"id":"W1972619664","doi":"10.1021/jp505638w","title":"The Influence of Ser-154, Cys-113, and the Phosphorylated Threonine Residue on the Catalytic Reaction Mechanism of Pin1","year":2014,"lang":"en","type":"article","venue":"The Journal of Physical Chemistry B","topic":"Signaling Pathways in Disease","field":"Biochemistry, Genetics and Molecular Biology","cited_by":18,"is_retracted":false,"has_abstract":true,"ca_institutions":"McMaster University","funders":"Fondo Nacional de Desarrollo Científico y Tecnológico; Vlaamse regering; Universiteit Gent; Natural Sciences and Engineering Research Council of Canada; Fonds Wetenschappelijk Onderzoek; Belgian Federal Science Policy Office","keywords":"Isomerization; Chemistry; Threonine; Serine; PIN1; Residue (chemistry); Prolyl isomerase; Isomerase; Stereochemistry; Peptide; Phosphorylation; Active site; Molecule; Catalysis; Enzyme; Biochemistry; Organic 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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001690606,0.0003487623,0.0002505142,0.0001279959,0.0002908632,0.0002466452,0.0002804796,0.0001971799,0.0009013098],"category_scores_gemma":[0.0005007188,0.0001361511,0.0003152502,0.0001126267,0.00030129,0.000297123,0.0002680987,0.0004619736,0.0001018327],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002733555,"about_ca_system_score_gemma":0.0004095064,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001823424,"about_ca_topic_score_gemma":0.001086357,"domain_scores_codex":[0.9999415,0.00001156409,0.000003223595,0.00001112415,0.00001482756,0.00001781243],"domain_scores_gemma":[0.9999053,0.0000482412,0.00001514156,0.0000066732,0.00001035155,0.00001423621],"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":[0.0009125111,0.0002235067,0.008970562,0.0004682794,0.0001112934,0.001098205,0.0002298698,0.4511709,0.5134609,0.008249301,0.0004249251,0.01467979],"study_design_scores_gemma":[0.00006764212,0.0004063655,0.005755706,0.00002261265,0.00008994774,0.0001393122,0.000158682,0.8635915,0.1271194,0.001430046,0.001173717,0.00004511974],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9949994,0.0002252375,0.00320503,0.000061937,0.00002076116,0.000005852666,0.00003238896,0.00002342087,0.00142591],"genre_scores_gemma":[0.9979272,0.0002186266,0.001619975,0.00001491562,0.000002841886,0.000007811585,0.00003769045,0.0000172674,0.0001536538],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001823424,"threshold_uncertainty_score":0.003625631,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.004674253071872721,"score_gpt":0.2154903854765392,"score_spread":0.2108161324046665,"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."}}