{"id":"W2120905579","doi":"10.1093/bioinformatics/btv458","title":"NRGsuite: a PyMOL plugin to perform docking simulations in real time using FlexAID","year":2015,"lang":"en","type":"article","venue":"Bioinformatics","topic":"Protein Degradation and Inhibitors","field":"Biochemistry, Genetics and Molecular Biology","cited_by":96,"is_retracted":false,"has_abstract":true,"ca_institutions":"Université de Sherbrooke","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Plug-in; Computer science; Docking (animal); Software; Computer graphics (images); Computational science; Programming language","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":[0.001731005,0.002630157,0.001734587,0.001069741,0.001025817,0.001440074,0.006473268,0.001405463,0.07945307],"category_scores_gemma":[0.003301487,0.00150487,0.001428272,0.001042515,0.0006223717,0.001810121,0.002560448,0.003413543,0.02299701],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001068227,"about_ca_system_score_gemma":0.001820016,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.005155577,"about_ca_topic_score_gemma":0.005645093,"domain_scores_codex":[0.9994283,0.0001040383,0.00004284547,0.0001095882,0.0002187833,0.0000964093],"domain_scores_gemma":[0.9990256,0.0004261144,0.00007096065,0.0001681813,0.0001755754,0.0001336367],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"not_applicable","study_design_gemma":"not_applicable","study_design_scores_codex":[0.002255237,0.0003673712,0.004650574,0.003260912,0.0009598379,0.001121522,0.0007382019,0.05418907,0.02520133,0.01618381,0.7128321,0.1782402],"study_design_scores_gemma":[0.0009010073,0.0002369392,0.00328512,0.0002837076,0.0002035284,0.0007245257,0.0001274761,0.5799187,0.05915814,0.01259245,0.3420318,0.0005367366],"study_design_candidate":"not_applicable","study_design_consensus":"not_applicable","genre_codex":"software","genre_gemma":"software","genre_scores_codex":[0.02110306,0.001095594,0.3229044,0.0007111244,0.0006534398,0.0003446229,0.02646304,0.6119918,0.01473292],"genre_scores_gemma":[0.1893451,0.001992561,0.4589681,0.001213634,0.0001807649,0.003649322,0.0670734,0.2482658,0.02931123],"genre_candidate":"software","genre_consensus":"software","teacher_disagreement_score":0.07945307,"threshold_uncertainty_score":0.265797,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.03695817191731657,"score_gpt":0.2974958937741716,"score_spread":0.260537721856855,"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."}}