{"id":"W2792257758","doi":"10.1016/j.bpj.2017.11.3312","title":"Computational and Experimental Study of Dope and Pope Lipids in the Inverted Hexagonal Phase: Effect of Water per Lipid, Temperature, Salt Concentration, and Simulation Setup","year":2018,"lang":"en","type":"article","venue":"Biophysical Journal","topic":"Lipid Membrane Structure and Behavior","field":"Biochemistry, Genetics and Molecular Biology","cited_by":0,"is_retracted":false,"has_abstract":false,"ca_institutions":"Simon Fraser University; University of Calgary","funders":"","keywords":"Hexagonal phase; Phase diagram; Lamellar structure; Deuterium; Hexagonal crystal system; Phase (matter); Molecular dynamics; Chemistry; Lattice (music); Materials science; Chemical physics; Physics; Crystallography; Computational chemistry; Atomic physics","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":[0.0006170533,0.00061413,0.0009569433,0.000832313,0.001127949,0.0008529595,0.001585506,0.001515387,0.005580232],"category_scores_gemma":[0.002719273,0.0006597542,0.0007418218,0.001011133,0.001165659,0.0009360745,0.0005704851,0.001237384,0.0002682185],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001429713,"about_ca_system_score_gemma":0.001582934,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.02829773,"about_ca_topic_score_gemma":0.01544629,"domain_scores_codex":[0.999793,0.00004055527,0.00001058038,0.00004212945,0.00004168611,0.00007198861],"domain_scores_gemma":[0.9979601,0.001355301,0.0001435035,0.0001220796,0.0002897505,0.0001292392],"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":[0.0003173484,0.0002851651,0.003366231,0.0001995607,0.00005810845,0.0002566541,0.0000729056,0.9857847,0.002837668,0.004346583,0.001055384,0.001419635],"study_design_scores_gemma":[0.000128828,0.00009024817,0.001044356,0.00001326364,0.00002390205,0.00002184364,0.00007758207,0.9956921,0.001977832,0.0006563039,0.0002563415,0.0000173736],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9893769,0.000181005,0.001531503,0.0003839156,0.00002934046,0.00002536898,0.001329342,0.00009535272,0.007047336],"genre_scores_gemma":[0.9954918,0.000104706,0.002273157,0.00009344887,0.00001487872,0.00005154986,0.001153033,0.00005553886,0.0007619648],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.02829773,"threshold_uncertainty_score":0.05626601,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.007876992499157494,"score_gpt":0.2931975970910742,"score_spread":0.2853206045919167,"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."}}