{"id":"W2325581009","doi":"10.1021/la502363b","title":"Microsecond Molecular Dynamics Simulations of Lipid Mixing","year":2014,"lang":"en","type":"article","venue":"Langmuir","topic":"Lipid Membrane Structure and Behavior","field":"Biochemistry, Genetics and Molecular Biology","cited_by":119,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Calgary","funders":"National Institute of General Medical Sciences; Natural Sciences and Engineering Research Council of Canada","keywords":"POPC; Molecular dynamics; Chemistry; Lipid bilayer; Membrane; Bilayer; Microsecond; Permeation; Chemical physics; Mixing (physics); Diffusion; Thermodynamics; Computational chemistry; Biochemistry; Physics","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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00004267055,0.00008188584,0.0001002326,0.00002467432,0.00003239995,0.000007138397,0.0001044091,0.00008950786,0.00003749992],"category_scores_gemma":[0.00002294355,0.00007597041,0.00006389084,0.00004732954,0.00003640951,0.000001755279,0.00004213895,0.00004244089,0.000003721771],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000005763052,"about_ca_system_score_gemma":0.00001710316,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000008232391,"about_ca_topic_score_gemma":0.00003016617,"domain_scores_codex":[0.9995316,0.00002318238,0.0001208185,0.0001485515,0.0000571473,0.0001186946],"domain_scores_gemma":[0.999667,0.000006495545,0.00005054943,0.0002041958,0.00004226261,0.00002951092],"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":[0.000006854087,0.00001508849,0.00207721,0.0000187113,0.00001207535,3.894769e-7,0.0000290927,0.00008759345,0.9959722,0.0004001594,0.00008783457,0.001292831],"study_design_scores_gemma":[0.0002878827,0.00005610797,0.003003954,0.000004685471,0.00001949647,0.000005201536,0.00001466789,0.0003052396,0.9765024,0.00003774448,0.01965187,0.0001108093],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9952195,0.00003055371,0.002005289,0.00005879234,0.0001150879,0.00005855095,0.00004664841,0.000008375954,0.002457253],"genre_scores_gemma":[0.9981685,0.000001587023,0.0006719063,0.0001648365,0.0002006335,0.000001990624,0.0002725785,0.00001474462,0.0005032656],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01956404,"threshold_uncertainty_score":0.3097983,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.004394105563523125,"score_gpt":0.2335909467715488,"score_spread":0.2291968412080257,"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."}}