{"id":"W2019773034","doi":"10.1016/j.jmb.2008.04.032","title":"Four Human Thiopurine S-Methyltransferase Alleles Severely Affect Protein Structure and Dynamics","year":2008,"lang":"en","type":"article","venue":"Journal of Molecular Biology","topic":"Acute Lymphoblastic Leukemia research","field":"Medicine","cited_by":35,"is_retracted":false,"has_abstract":false,"ca_institutions":"","funders":"National Center for Research Resources; National Institute of General Medical Sciences; Canadian Institutes of Health Research; National Institutes of Health","keywords":"Thiopurine methyltransferase; Active site; Binding site; Genetics; Chemistry; Mutant; Allele; Hydrogen bond; Molecular dynamics; Biology; Stereochemistry; Biochemistry; Enzyme; Gene; Azathioprine; Medicine; Molecule; Computational chemistry","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":[0.0002538215,0.0001797163,0.0004804668,0.0002257652,0.00008593747,0.000007434554,0.0001528907,0.0002404506,0.00005331195],"category_scores_gemma":[0.0002524417,0.0001277615,0.0001357823,0.0001268795,0.0002639048,0.00003913806,0.00005544861,0.0005863953,0.000001959258],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001704599,"about_ca_system_score_gemma":0.0003683718,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00002612078,"about_ca_topic_score_gemma":0.00001384123,"domain_scores_codex":[0.9986767,0.0002055364,0.0003697958,0.0001861333,0.0002694075,0.0002924009],"domain_scores_gemma":[0.9991435,0.00006743407,0.0001453031,0.0001861748,0.0002294974,0.0002280943],"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":[0.0006458892,0.00007317252,0.007736309,0.00008656849,0.000330854,0.005388504,0.00008111296,0.00001073141,0.9833632,0.0009040624,0.0001879917,0.001191567],"study_design_scores_gemma":[0.03140243,0.01861409,0.1201716,0.0005514158,0.0006220114,0.1467644,0.0001416998,0.001802589,0.665968,0.01089197,0.002093934,0.0009759197],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9875459,0.0004954532,0.01006474,0.001366177,0.00004576555,0.0002924866,0.00001508007,0.00001102233,0.0001633481],"genre_scores_gemma":[0.9920372,0.0001232424,0.007226032,0.0002950325,0.0001438102,0.000002433294,0.00001641557,0.00002732042,0.0001285278],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.3173952,"threshold_uncertainty_score":0.5209963,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01370602005288601,"score_gpt":0.2950953511636112,"score_spread":0.2813893311107252,"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."}}