{"id":"W4389902175","doi":"10.1101/2023.12.18.572254","title":"Mapping Structural and Dynamic Divergence Across the MBOAT family","year":2023,"lang":"en","type":"preprint","venue":"bioRxiv (Cold Spring Harbor Laboratory)","topic":"Protein Structure and Dynamics","field":"Biochemistry, Genetics and Molecular Biology","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"Hospital for Sick Children","funders":"Biotechnology and Biological Sciences Research Council","keywords":"Computational biology; Molecular dynamics; Hydrogen bond; Lipid bilayer; Biology; Small molecule; Functional divergence; Solvation; Chemistry; Biophysics; Membrane; Biochemistry; Molecule; Genome; Gene; Gene family; Computational chemistry","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":[0.0003184252,0.0003759638,0.0003202293,0.0004184372,0.0004540336,0.0005247206,0.000460373,0.0004055046,0.001394072],"category_scores_gemma":[0.0007032492,0.0001682616,0.0003753429,0.0003788475,0.0004038587,0.0004697832,0.0005207207,0.0006717594,0.0003028787],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0005765793,"about_ca_system_score_gemma":0.000369478,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.002785152,"about_ca_topic_score_gemma":0.001410246,"domain_scores_codex":[0.9998736,0.00001878531,0.000007732464,0.00004141719,0.00003101868,0.00002741491],"domain_scores_gemma":[0.9997916,0.00005076718,0.00004181677,0.00002244331,0.00003552641,0.00005787485],"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":[0.001511315,0.0004076448,0.167231,0.0004990584,0.0004291199,0.000893604,0.0006396521,0.2422156,0.5373772,0.01073464,0.003890629,0.03417056],"study_design_scores_gemma":[0.00007093168,0.0003730599,0.07719538,0.00004318663,0.0001055234,0.0005156909,0.0003320507,0.8557506,0.05179409,0.006496893,0.007268986,0.00005357866],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9953549,0.0002758003,0.002862851,0.00008611629,0.000007846239,0.000005782641,0.0003607866,0.0001419648,0.0009040161],"genre_scores_gemma":[0.9956252,0.0001533684,0.00288474,0.00002565088,0.000004068661,0.00001325923,0.001088508,0.00006387794,0.0001414618],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002785152,"threshold_uncertainty_score":0.005537868,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01096245405935574,"score_gpt":0.2370074248910805,"score_spread":0.2260449708317247,"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."}}