{"id":"W2584089301","doi":"10.1016/j.bpj.2016.11.484","title":"Software for Direct Comparison of Membrane Scattering Experiments Data to Molecular Dynamics Simulations","year":2017,"lang":"en","type":"article","venue":"Biophysical Journal","topic":"Lipid Membrane Structure and Behavior","field":"Biochemistry, Genetics and Molecular Biology","cited_by":1,"is_retracted":false,"has_abstract":false,"ca_institutions":"University of Calgary","funders":"","keywords":"Lipid bilayer; Neutron scattering; Molecular dynamics; Scattering; Software; Membrane; Force field (fiction); Chemical physics; Neutron; Field (mathematics); Chemistry; Computer science; Crystallography; Physics; Computational chemistry; Optics; Nuclear physics; Artificial intelligence","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":[0.002494922,0.002777,0.002344235,0.002238908,0.00153215,0.002049562,0.004195475,0.002029958,0.07379737],"category_scores_gemma":[0.005430646,0.001946887,0.00159412,0.001649924,0.0006350478,0.00166238,0.001668048,0.004480761,0.01546357],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001125726,"about_ca_system_score_gemma":0.002142353,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.004352597,"about_ca_topic_score_gemma":0.004349659,"domain_scores_codex":[0.9991173,0.0001370989,0.0001390522,0.0001887647,0.0002920899,0.0001257517],"domain_scores_gemma":[0.9975159,0.001466934,0.0001299446,0.0002404131,0.0005104906,0.0001362469],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"not_applicable","study_design_gemma":"not_applicable","study_design_scores_codex":[0.003440199,0.002319353,0.006359815,0.006237159,0.002007514,0.002004022,0.002439091,0.04379344,0.07780197,0.0425851,0.5647622,0.2462501],"study_design_scores_gemma":[0.001739148,0.0004664623,0.006656707,0.0004941825,0.0005239262,0.0009999345,0.0002621029,0.5514349,0.1064259,0.02818108,0.3023153,0.0005005001],"study_design_candidate":"not_applicable","study_design_consensus":"not_applicable","genre_codex":"software","genre_gemma":"software","genre_scores_codex":[0.03895527,0.0005476012,0.3538812,0.0004323121,0.0007524184,0.0008870256,0.05010245,0.540224,0.01421772],"genre_scores_gemma":[0.1477492,0.001394381,0.5176264,0.001108176,0.0002423809,0.009019926,0.09627975,0.2046938,0.02188604],"genre_candidate":"software","genre_consensus":"software","teacher_disagreement_score":0.07379737,"threshold_uncertainty_score":0.2468768,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.0499928887013739,"score_gpt":0.3697847001387606,"score_spread":0.3197918114373867,"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."}}