{"id":"W4412068146","doi":"10.3390/pr13072151","title":"Effects of Denaturants on Early-Stage Prion Conversion: Insights from Molecular Dynamics Simulations","year":2025,"lang":"en","type":"article","venue":"Processes","topic":"Prion Diseases and Protein Misfolding","field":"Biochemistry, Genetics and Molecular Biology","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Alberta","funders":"Alberta Innovates","keywords":"Stage (stratigraphy); Dynamics (music); Molecular dynamics; Prion protein; Statistical physics; Computational biology; Chemistry; Biological system; Biology; Physics; Medicine; Computational chemistry; Internal 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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002781049,0.0005013974,0.000462302,0.0003529214,0.0004623197,0.0003125002,0.000466552,0.0005066519,0.0007005529],"category_scores_gemma":[0.0008014056,0.0002248824,0.0003142474,0.0002385288,0.000446118,0.0004344893,0.0003201337,0.0005481952,0.00007326315],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0006702355,"about_ca_system_score_gemma":0.0006640424,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.009019495,"about_ca_topic_score_gemma":0.008923116,"domain_scores_codex":[0.9999406,0.0000160721,0.000003520989,0.000009186007,0.0000149612,0.0000154947],"domain_scores_gemma":[0.9997557,0.0001313293,0.00002820104,0.00001599284,0.00003541209,0.00003338455],"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":[0.0002378177,0.0002226748,0.004979773,0.0001348563,0.00009080974,0.00023811,0.0001788135,0.9506912,0.03544132,0.003247821,0.0003276434,0.004209121],"study_design_scores_gemma":[0.00002327769,0.00004552694,0.0009026485,0.000005628985,0.00001366637,0.0000079997,0.00002423479,0.9950916,0.003238973,0.0003982796,0.0002405292,0.000007644819],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9919002,0.0002410944,0.005558086,0.00014198,0.00001672386,0.00002368666,0.000143828,0.00006974683,0.001904651],"genre_scores_gemma":[0.9948395,0.0003024164,0.00425411,0.00004400349,0.000004446124,0.00005120408,0.0001671916,0.00003574992,0.000301446],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.009019495,"threshold_uncertainty_score":0.01793396,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.00315117719647836,"score_gpt":0.2358491530249927,"score_spread":0.2326979758285144,"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."}}