{"id":"W2477776366","doi":"10.1016/j.jsb.2016.08.001","title":"Theoretical modeling of multiprotein complexes by iSPOT: Integration of small-angle X-ray scattering, hydroxyl radical footprinting, and computational docking","year":2016,"lang":"en","type":"article","venue":"Journal of Structural Biology","topic":"Enzyme Structure and Function","field":"Materials Science","cited_by":35,"is_retracted":false,"has_abstract":false,"ca_institutions":"McGill University","funders":"National Institute of General Medical Sciences; National Institutes of Health; Ohio Supercomputer Center","keywords":"Small-angle X-ray scattering; Footprinting; Docking (animal); Molecular dynamics; Chemistry; Multiprotein complex; DNA footprinting; Scattering; Crystallography; Biological system; Computational chemistry; Physics; Biology; DNA; DNA-binding protein; Transcription factor; Biochemistry","routes":{"ca_aff":true,"ca_fund":false,"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":[0.0007187513,0.001487487,0.002114102,0.0008047229,0.001387234,0.001532773,0.003423241,0.001733634,0.004787307],"category_scores_gemma":[0.001206549,0.0009791572,0.001227133,0.0009978014,0.0006797681,0.001131146,0.0008622286,0.001431199,0.0006760951],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001415499,"about_ca_system_score_gemma":0.00202108,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.01167971,"about_ca_topic_score_gemma":0.01047273,"domain_scores_codex":[0.999711,0.00008087378,0.00001401255,0.00003586408,0.00009207553,0.00006608453],"domain_scores_gemma":[0.9993844,0.0003107823,0.00004550601,0.00007188457,0.0001036933,0.0000837465],"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":[0.00006748852,0.0001134596,0.0005211373,0.00007721814,0.00004388217,0.0001273586,0.00005771493,0.9859752,0.001462148,0.00774319,0.0004866408,0.003324529],"study_design_scores_gemma":[0.0000123014,0.00001183755,0.00005702093,0.000003024028,0.000005585832,0.000008576717,0.00001306958,0.998099,0.0003616288,0.00124988,0.0001735861,0.000004497555],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"methods","genre_scores_codex":[0.6145179,0.000688265,0.3582716,0.0007623363,0.0001566188,0.0002444235,0.001636596,0.002862317,0.02085995],"genre_scores_gemma":[0.9044591,0.0006039262,0.0903263,0.000143154,0.00003704681,0.0004168395,0.001163663,0.0005906749,0.002259289],"genre_candidate":"methods","genre_consensus":null,"teacher_disagreement_score":0.01167971,"threshold_uncertainty_score":0.02322346,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01429832934945946,"score_gpt":0.2546228557428334,"score_spread":0.240324526393374,"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."}}