{"id":"W2767383614","doi":"10.1016/j.jmgm.2017.10.019","title":"Comparative modeling and molecular docking analysis of white, brown and soft rot fungal laccases using lignin model compounds for understanding the structural and functional properties of laccases","year":2017,"lang":"en","type":"article","venue":"Journal of Molecular Graphics and Modelling","topic":"Enzyme-mediated dye degradation","field":"Agricultural and Biological Sciences","cited_by":44,"is_retracted":false,"has_abstract":false,"ca_institutions":"Lakehead University","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Laccase; Lignin; Docking (animal); Trimer; Trametes versicolor; Chemistry; White rot; Fungal protein; Dimer; Enzyme; Biochemistry; Organic chemistry; Gene; Mutant","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":[0.0002999293,0.001155842,0.0008581607,0.0005068738,0.0009087235,0.0008312157,0.001121253,0.0007649551,0.004742174],"category_scores_gemma":[0.000463635,0.0003274172,0.0008621091,0.0006941649,0.000224377,0.0004798584,0.0003512947,0.0006951033,0.0003477311],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0009466832,"about_ca_system_score_gemma":0.001094119,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.01496853,"about_ca_topic_score_gemma":0.01441788,"domain_scores_codex":[0.9998658,0.00003714057,0.00000594668,0.000015194,0.00003874048,0.0000371782],"domain_scores_gemma":[0.999828,0.00008318139,0.00001601287,0.00001128728,0.00003600811,0.00002555501],"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":[0.000356067,0.0003142898,0.002071155,0.0001642384,0.0001131984,0.0003477026,0.0001162561,0.9620703,0.02294399,0.003729346,0.001089469,0.006683908],"study_design_scores_gemma":[0.00003214798,0.00006163093,0.0003812685,0.000006462355,0.00002353657,0.0000218483,0.00005192533,0.9953832,0.003418164,0.0002829186,0.0003287765,0.000008163249],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9729007,0.0004598285,0.01798302,0.0003512462,0.00003172947,0.00006064011,0.0008983048,0.0005810183,0.006733362],"genre_scores_gemma":[0.9877133,0.0004124699,0.009571902,0.0000364577,0.000005147991,0.00007024029,0.0008083031,0.0001083246,0.001273736],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01496853,"threshold_uncertainty_score":0.0297628,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.164306073898591,"score_gpt":0.2792548123683734,"score_spread":0.1149487384697823,"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."}}