{"id":"W2323614149","doi":"10.1093/bioinformatics/btw129","title":"mDCC_tools: characterizing multi-modal atomic motions in molecular dynamics trajectories","year":2016,"lang":"en","type":"article","venue":"Bioinformatics","topic":"Protein Structure and Dynamics","field":"Biochemistry, Genetics and Molecular Biology","cited_by":3,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"Institute of Genetics; Japan Society for the Promotion of Science; Research Organization of Information and Systems","keywords":"Modal; Molecular dynamics; Computer science; Dynamics (music); Biological system; Physics; Statistical physics; Classical mechanics; Chemistry; Biology; Acoustics; Quantum mechanics","routes":{"ca_aff":false,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001195477,0.0001897599,0.0001616516,0.00008162329,0.00005298623,0.00003234496,0.0002205164,0.0002024297,0.000006849267],"category_scores_gemma":[0.0001000499,0.0001445532,0.00008568443,0.0001049986,0.00008108275,0.00002260348,0.0001097417,0.0000818281,0.00001929218],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00009097975,"about_ca_system_score_gemma":0.0001183997,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000009716443,"about_ca_topic_score_gemma":0.00009346734,"domain_scores_codex":[0.9990036,0.00002284321,0.0003630756,0.0001679567,0.0001151006,0.0003273497],"domain_scores_gemma":[0.9993915,0.000008288766,0.0001179479,0.000358061,0.00004889682,0.00007529375],"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":[0.00008704481,0.0001311643,0.01535038,0.0001498978,0.000108424,0.00001868792,0.0005638386,0.00008530409,0.9231259,0.008369843,0.0001165005,0.05189305],"study_design_scores_gemma":[0.01450473,0.001250001,0.1435955,0.0006758817,0.000157121,0.0004149996,0.001578219,0.15491,0.6507686,0.004869746,0.02258076,0.004694322],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.7505145,0.00007281476,0.2482009,0.0002059916,0.0001794774,0.0002377753,0.0001459366,0.00002930946,0.0004132612],"genre_scores_gemma":[0.9681686,0.00008871492,0.03096741,0.0002311711,0.00006419643,0.00002520695,0.0001868231,0.00002477032,0.0002431363],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.2723572,"threshold_uncertainty_score":0.5894707,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.007779964906881822,"score_gpt":0.2313712429815616,"score_spread":0.2235912780746798,"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."}}