{"id":"W1971927224","doi":"10.1101/001495","title":"A coarse-grained elastic network atom contact model and its use in the simulation of protein dynamics and the prediction of the effect of mutations","year":2013,"lang":"en","type":"preprint","venue":"bioRxiv (Cold Spring Harbor Laboratory)","topic":"Protein Structure and Dynamics","field":"Biochemistry, Genetics and Molecular Biology","cited_by":6,"is_retracted":false,"has_abstract":true,"ca_institutions":"Université de Sherbrooke","funders":"Canadian Institutes of Health Research; Université de Sherbrooke","keywords":"Molecular dynamics; Dynamics (music); Atom (system on chip); Statistical physics; Physics; Computer science; Quantum mechanics; Embedded system","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":[0.0005018136,0.0004130089,0.0004220782,0.0004988508,0.0003886164,0.0005138632,0.0008128653,0.0009226719,0.0009446412],"category_scores_gemma":[0.001709275,0.0001910679,0.0004048659,0.0003114227,0.0006198011,0.0006672808,0.0005412512,0.0005708982,0.00008951828],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0007445439,"about_ca_system_score_gemma":0.0007574568,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.01233072,"about_ca_topic_score_gemma":0.005701048,"domain_scores_codex":[0.9998723,0.00004101338,0.000005543216,0.00002203519,0.00004149676,0.00001747953],"domain_scores_gemma":[0.9992267,0.0004747389,0.00007608677,0.00007592245,0.00007248572,0.00007396825],"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":[0.00002244019,0.00002341049,0.0005140228,0.000007713603,0.000005920183,0.00002811176,0.000007324268,0.9942021,0.0009743886,0.002636514,0.0000776092,0.001500564],"study_design_scores_gemma":[0.000001103817,0.000003911576,0.00003806033,4.265649e-7,4.128121e-7,9.968264e-7,6.650195e-7,0.9995388,0.000121705,0.0002666537,0.00002630947,0.000001001988],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.6637729,0.0004211451,0.3272873,0.0005651864,0.00009157076,0.00009761695,0.0002703072,0.0004468697,0.007047203],"genre_scores_gemma":[0.9725181,0.0001159742,0.0261514,0.00003467154,0.00001272769,0.0000587014,0.00007575624,0.00003948094,0.0009932159],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01233072,"threshold_uncertainty_score":0.02451789,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.006495929881573234,"score_gpt":0.2039597004101728,"score_spread":0.1974637705285996,"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."}}