{"id":"W4319442934","doi":"10.1016/j.bpj.2023.02.003","title":"A combined computational-biophysical approach to understanding fatty acid binding to FABP7","year":2023,"lang":"en","type":"article","venue":"Biophysical Journal","topic":"Peroxisome Proliferator-Activated Receptors","field":"Biochemistry, Genetics and Molecular Biology","cited_by":4,"is_retracted":false,"has_abstract":false,"ca_institutions":"University of Calgary","funders":"Canada First Research Excellence Fund; Natural Sciences and Engineering Research Council of Canada; Canada Research Chairs; Compute Canada","keywords":"Fatty acid-binding protein; Ligand (biochemistry); Cytosol; Transporter; Biochemistry; Binding site; Chemistry; Fatty acid; Intracellular; Polyunsaturated fatty acid; Biophysics; Conformational change; Transport protein; Biology; Receptor; Gene","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":[0.0003620336,0.0007590232,0.001243624,0.000618393,0.001092248,0.001385496,0.002013183,0.002225316,0.003115567],"category_scores_gemma":[0.001607453,0.0007851719,0.0009957426,0.0005254351,0.001099451,0.001080975,0.0009886416,0.001616963,0.000427975],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001328544,"about_ca_system_score_gemma":0.00301669,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.02882687,"about_ca_topic_score_gemma":0.0138114,"domain_scores_codex":[0.9998524,0.00003604466,0.000006064222,0.00002095936,0.00004685216,0.00003761214],"domain_scores_gemma":[0.9994507,0.000303249,0.00003545548,0.00004946667,0.00009371534,0.00006721803],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.0000331446,0.0000734916,0.0004903001,0.000034964,0.00003198825,0.00007391643,0.00003052,0.9868707,0.002055928,0.008198972,0.0002396665,0.001866385],"study_design_scores_gemma":[0.00001135839,0.000006098084,0.00009985208,0.00000194373,0.000004298615,0.000006367365,0.00001053367,0.9973296,0.0001735592,0.002194386,0.0001580571,0.000004009111],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.5088726,0.001423218,0.4194295,0.00555199,0.000349963,0.0002260227,0.001366245,0.001179823,0.06160069],"genre_scores_gemma":[0.9566386,0.0006882517,0.03705118,0.0004903807,0.0001048704,0.0002361605,0.0004099747,0.0001367814,0.004243671],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.02882687,"threshold_uncertainty_score":0.05731815,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.03538363137384988,"score_gpt":0.2773837078834184,"score_spread":0.2420000765095686,"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."}}