{"id":"W2338035166","doi":"10.1039/9781849732154-00001","title":"Methods and Parameters for Membrane Simulations","year":2010,"lang":"en","type":"book-chapter","venue":"","topic":"Lipid Membrane Structure and Behavior","field":"Biochemistry, Genetics and Molecular Biology","cited_by":40,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Calgary","funders":"","keywords":"Membrane; Molecular dynamics; Electrostatics; Statistical physics; Boundary value problem; Field (mathematics); Computer science; Biomolecule; Periodic boundary conditions; Nanotechnology; Chemical physics; Physics; Chemistry; Materials science; Mathematics; Computational chemistry; Quantum mechanics","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":[0.0009592646,0.001192059,0.001113909,0.001470984,0.001072421,0.001546508,0.003256751,0.002573067,0.05097212],"category_scores_gemma":[0.004915142,0.0008618141,0.001161291,0.001821426,0.0005046892,0.00218665,0.001846389,0.003369313,0.03836261],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0009130712,"about_ca_system_score_gemma":0.001036364,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001467024,"about_ca_topic_score_gemma":0.001444995,"domain_scores_codex":[0.9992419,0.0001971041,0.00005833041,0.00009545258,0.0003550287,0.00005219477],"domain_scores_gemma":[0.9990932,0.0003027667,0.00004947161,0.0001897678,0.0003144318,0.00005044081],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"theoretical_or_conceptual","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.0001348596,0.000174652,0.0008007428,0.001441805,0.0001368797,0.0003878603,0.0002988156,0.226142,0.01799467,0.4190147,0.1643263,0.1691468],"study_design_scores_gemma":[0.00008389099,0.00003868132,0.000304395,0.0002871323,0.00003235332,0.0003714135,0.00006613043,0.2662885,0.008689209,0.1674426,0.556302,0.0000939333],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"methods","genre_gemma":"methods","genre_scores_codex":[0.002938315,0.00376133,0.9089716,0.001039585,0.001126626,0.0005172349,0.006760135,0.006264932,0.06862016],"genre_scores_gemma":[0.02706605,0.004640654,0.9031564,0.0008295961,0.0002967759,0.00315699,0.008577996,0.008398515,0.04387703],"genre_candidate":"methods","genre_consensus":"methods","teacher_disagreement_score":0.05097212,"threshold_uncertainty_score":0.1705187,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02348841715782662,"score_gpt":0.3288703591832942,"score_spread":0.3053819420254675,"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."}}