{"id":"W2515316323","doi":"10.1139/cjc-2016-0267","title":"Molecular dynamics studies of a β-sheet blocking peptide with the full-length amyloid beta peptide of Alzheimer’s disease","year":2016,"lang":"en","type":"article","venue":"Canadian Journal of Chemistry","topic":"Alzheimer's disease research and treatments","field":"Medicine","cited_by":8,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Calgary","funders":"Western Canada Research Grid; Compute Canada","keywords":"Antiparallel (mathematics); Chemistry; Peptide; Beta sheet; Molecular dynamics; Amyloid beta; Amyloid (mycology); Stereochemistry; Crystallography; Binding site; Biophysics; Biochemistry; Computational chemistry","routes":{"ca_aff":true,"ca_fund":true,"ca_venue":true,"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":[0.0002471577,0.0003752905,0.0005111256,0.0001995285,0.0007218114,0.0003757697,0.0004665095,0.0003660945,0.0008680613],"category_scores_gemma":[0.0005149725,0.0002432721,0.0004149066,0.000223785,0.0004147247,0.0005368361,0.0002429716,0.0007207604,0.0001140593],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0007651063,"about_ca_system_score_gemma":0.0005150627,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.004494128,"about_ca_topic_score_gemma":0.002541617,"domain_scores_codex":[0.9998947,0.00001829392,0.000004110913,0.0000195195,0.0000337947,0.00002955046],"domain_scores_gemma":[0.999765,0.00009531619,0.00003474448,0.00001144569,0.00004414374,0.00004939679],"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":[0.001534642,0.001860958,0.02244021,0.0004657266,0.0005350715,0.001220647,0.001563357,0.5739267,0.3687314,0.01077744,0.002146619,0.01479724],"study_design_scores_gemma":[0.0001556155,0.0006139993,0.007951988,0.00002368299,0.00005052323,0.000109995,0.0001615506,0.9610412,0.02790902,0.0007039493,0.001243797,0.00003463217],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9978453,0.0002355265,0.0007845801,0.00008794019,0.00001105969,0.00001084897,0.00004357379,0.00001335441,0.0009677444],"genre_scores_gemma":[0.9976559,0.0002395928,0.001514097,0.00003122382,0.000005604393,0.00002765575,0.0001832832,0.000009313484,0.0003333702],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.004494128,"threshold_uncertainty_score":0.008935928,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02097080657696959,"score_gpt":0.2766780113584363,"score_spread":0.2557072047814667,"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."}}