{"id":"W3196612733","doi":"10.1002/pmic.202000298","title":"Structure of prion β‐oligomers as determined by short‐distance crosslinking constraint‐guided discrete molecular dynamics simulations","year":2021,"lang":"en","type":"article","venue":"PROTEOMICS","topic":"Prion Diseases and Protein Misfolding","field":"Biochemistry, Genetics and Molecular Biology","cited_by":18,"is_retracted":false,"has_abstract":true,"ca_institutions":"McGill University; Jewish General Hospital; Genome British Columbia; University of Victoria","funders":"Natural Sciences and Engineering Research Council of Canada; National Institutes of Health; Warren Y. Soper Charitable Trust; Fondation De Famille Alvin Segal; Ministry of Science and Higher Education of the Russian Federation; National Institute of General Medical Sciences; Jewish General Hospital; Genome British Columbia; Leading Edge Endowment Fund; Terry Fox Research Institute; Skolkovo Institute of Science and Technology; Genome Canada; McGill University","keywords":"Molecular dynamics; Constraint (computer-aided design); Dynamics (music); Prion protein; Biophysics; Chemistry; Statistical physics; Biological system; Computational biology; Computer science; Computational chemistry; Biology; Physics; Mathematics; Medicine","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":[0.00006616696,0.0002051847,0.0002101537,0.00002874055,0.0001140836,0.00005667632,0.0002015441,0.0001996486,0.00003789163],"category_scores_gemma":[0.0002364561,0.0002254183,0.0001466854,0.0001332533,0.0001343046,0.000009262926,0.0001465418,0.0001252082,6.936668e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00005390401,"about_ca_system_score_gemma":0.0003113609,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00001240546,"about_ca_topic_score_gemma":0.00003025828,"domain_scores_codex":[0.998713,0.00006296018,0.0003599109,0.0004180292,0.0001769899,0.0002691356],"domain_scores_gemma":[0.9990923,0.00001341599,0.0001499047,0.0004326077,0.0001964839,0.0001153078],"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":[0.00005967549,0.00002182413,0.0017857,0.00006060645,0.00006335371,0.00001038459,0.00003159907,0.002187378,0.9902921,0.0004960046,0.00001721626,0.004974206],"study_design_scores_gemma":[0.0004286784,0.00005982378,0.00008777211,0.00004330426,0.0000362709,0.00002328781,0.00005157831,0.006383153,0.9903441,0.00140716,0.0008601664,0.0002746959],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9188581,0.002113097,0.07757358,0.000115091,0.00006975806,0.0004196608,0.0007506109,0.00001445418,0.00008564143],"genre_scores_gemma":[0.9876859,0.0002272305,0.01042656,0.0001719435,0.00004667132,0.0000120522,0.001327261,0.00003493341,0.00006751651],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.06882772,"threshold_uncertainty_score":0.9192293,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.006096591471862377,"score_gpt":0.2696756935491665,"score_spread":0.2635791020773042,"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."}}