{"id":"W3138390968","doi":"10.1093/bioinformatics/btab188","title":"PoseFilter: a PyMOL plugin for filtering and analyzing small molecule docking in symmetric binding sites","year":2021,"lang":"en","type":"article","venue":"Bioinformatics","topic":"14-3-3 protein interactions","field":"Biochemistry, Genetics and Molecular Biology","cited_by":18,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Waterloo","funders":"Canada First Research Excellence Fund","keywords":"Plug-in; Docking (animal); Computer science; Graphical user interface; Software; Interface (matter); Computational biology; Data mining; Programming language; Operating system; Biology","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":[0.001647876,0.002691329,0.00234767,0.002063366,0.00118541,0.002030786,0.003714816,0.001030988,0.08294735],"category_scores_gemma":[0.003462823,0.001431373,0.001476313,0.001373393,0.0003803371,0.002040829,0.002159265,0.002908274,0.03413367],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0006602156,"about_ca_system_score_gemma":0.001763466,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.004290196,"about_ca_topic_score_gemma":0.005413163,"domain_scores_codex":[0.999188,0.0001103357,0.00004807671,0.0001653179,0.0003583112,0.0001299124],"domain_scores_gemma":[0.9993274,0.0002838669,0.0000612292,0.0001220837,0.0001257654,0.00007964126],"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":[0.0009437033,0.0001592913,0.002742671,0.001896455,0.000362995,0.0004634557,0.0002371834,0.00592265,0.02601978,0.005521863,0.8345279,0.1212021],"study_design_scores_gemma":[0.0006963436,0.0003134032,0.01037769,0.0004059171,0.0002515692,0.001635755,0.0002300277,0.1719368,0.1768755,0.0172998,0.6192104,0.0007668891],"study_design_candidate":"not_applicable","study_design_consensus":"not_applicable","genre_codex":"software","genre_gemma":"software","genre_scores_codex":[0.01275608,0.0009147981,0.3047774,0.0005047945,0.0003859991,0.0002520385,0.06690747,0.6070839,0.006417537],"genre_scores_gemma":[0.1277682,0.002275188,0.3983299,0.001195947,0.0001579241,0.002406512,0.2194356,0.2226372,0.02579337],"genre_candidate":"software","genre_consensus":"software","teacher_disagreement_score":0.08294735,"threshold_uncertainty_score":0.2774865,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.0231698618666592,"score_gpt":0.2668080451882016,"score_spread":0.2436381833215424,"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."}}