{"id":"W4323315244","doi":"10.3390/molecules28052384","title":"In Silico Exploration of Microtubule Agent Griseofulvin and Its Derivatives Interactions with Different Human β-Tubulin Isotypes","year":2023,"lang":"en","type":"article","venue":"Molecules","topic":"Microtubule and mitosis dynamics","field":"Biochemistry, Genetics and Molecular Biology","cited_by":3,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Ottawa","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Tubulin; Griseofulvin; Microtubule; Epothilone; Biology; Binding site; In silico; Docking (animal); Chemistry; Biochemistry; Cell biology; Genetics; Gene; Medicine","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":[0.0004554722,0.001309769,0.001723786,0.0008999226,0.0007646256,0.001048312,0.001099183,0.001308711,0.004820641],"category_scores_gemma":[0.001052848,0.0005978166,0.001704279,0.0007556411,0.0003323016,0.0006393977,0.0004994127,0.0009115887,0.0005492794],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0007964977,"about_ca_system_score_gemma":0.001699068,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.01435032,"about_ca_topic_score_gemma":0.01410657,"domain_scores_codex":[0.9997786,0.00005432425,0.000010493,0.00003740997,0.00005245235,0.0000667452],"domain_scores_gemma":[0.9994909,0.0003155412,0.00004923206,0.00001738886,0.00007266409,0.00005425416],"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":[0.0002590045,0.0001894007,0.005415332,0.0003761843,0.0002027231,0.0005128868,0.00003619515,0.9805124,0.004692603,0.001849248,0.001746345,0.004207688],"study_design_scores_gemma":[0.00007947199,0.0001561717,0.000770442,0.00002258797,0.00008174929,0.0000507039,0.00004583472,0.9956878,0.001183472,0.0006622969,0.001245538,0.00001379483],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9554235,0.003958807,0.01920274,0.0009899606,0.0001862664,0.0001393238,0.003680453,0.0009265903,0.01549241],"genre_scores_gemma":[0.9762583,0.001707214,0.01545046,0.0002607629,0.00003318081,0.0002175919,0.00334554,0.0001595412,0.002567293],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01435032,"threshold_uncertainty_score":0.02853358,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01892461951925315,"score_gpt":0.2728182181583594,"score_spread":0.2538935986391062,"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."}}