{"id":"W2028421834","doi":"10.1016/j.bpj.2012.11.955","title":"Thermodynamics of Oleic Acid Aggregation from Coarse-Grained Molecular Dynamics Simulations","year":2013,"lang":"en","type":"article","venue":"Biophysical Journal","topic":"Food Chemistry and Fat Analysis","field":"Agricultural and Biological Sciences","cited_by":0,"is_retracted":false,"has_abstract":false,"ca_institutions":"University of Calgary","funders":"","keywords":"Oleic acid; Chemistry; Micelle; Protonation; Fatty acid; Molecular dynamics; Vesicle; Organic chemistry; Aqueous solution; Computational chemistry; Biochemistry; Membrane","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":[0.000687345,0.0007609425,0.0009128724,0.0008830538,0.001229084,0.001161778,0.001304064,0.0008321159,0.00313883],"category_scores_gemma":[0.00284246,0.0006497502,0.0008010715,0.0006398277,0.001471157,0.001517082,0.0008343835,0.001402906,0.0002401796],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.002462061,"about_ca_system_score_gemma":0.001968238,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.018555,"about_ca_topic_score_gemma":0.01437063,"domain_scores_codex":[0.9997423,0.00005110577,0.00001475185,0.00003516099,0.00007814401,0.00007842352],"domain_scores_gemma":[0.9990656,0.0004972934,0.00007121032,0.0001037206,0.0001255147,0.0001367081],"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":[0.0002305969,0.0001564666,0.002352317,0.00009465114,0.00005471273,0.0001887851,0.0001803716,0.9757155,0.0062958,0.01134659,0.0008167858,0.002567482],"study_design_scores_gemma":[0.0000357887,0.00002127368,0.0008998996,0.000006995466,0.000007574009,0.000006166123,0.00002216577,0.9952436,0.001011551,0.002606082,0.0001261727,0.00001266909],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9785442,0.0002843122,0.01056121,0.0004721773,0.00008238563,0.00009483107,0.0005397299,0.0001953665,0.009225839],"genre_scores_gemma":[0.9967006,0.0001423243,0.001793602,0.00006989574,0.00002511347,0.00008529337,0.0004507709,0.00007430535,0.0006582484],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.018555,"threshold_uncertainty_score":0.03689396,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.007794575755622915,"score_gpt":0.2003182258866217,"score_spread":0.1925236501309988,"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."}}