{"id":"W2972620366","doi":"10.1039/c9ob01823a","title":"Substrate-product analogue inhibitors of isoleucine 2-epimerase from <i>Lactobacillus buchneri</i> by rational design","year":2019,"lang":"en","type":"article","venue":"Organic & Biomolecular Chemistry","topic":"Enzyme Structure and Function","field":"Materials Science","cited_by":3,"is_retracted":false,"has_abstract":true,"ca_institutions":"Dalhousie University","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Chemistry; Rational design; Substrate (aquarium); Isoleucine; Lactobacillus buchneri; Lactobacillus; Biochemistry; Stereochemistry; Amino acid; Bacteria; Lactic acid; Leucine; Nanotechnology; Fermentation","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":[0.0003378488,0.0008084472,0.0006266593,0.0002612481,0.0001376941,0.0005851949,0.0005363881,0.0003347592,0.0008291329],"category_scores_gemma":[0.0002080943,0.0003274422,0.0004866785,0.0002564598,0.000264127,0.0002986066,0.0002907249,0.0007563132,0.0004401705],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0005726541,"about_ca_system_score_gemma":0.0004470115,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0005236641,"about_ca_topic_score_gemma":0.001322577,"domain_scores_codex":[0.9998054,0.00004082497,0.00002579321,0.00003708004,0.00005191206,0.00003901755],"domain_scores_gemma":[0.9999229,0.00001270697,0.00002648597,0.000008687126,0.00001796199,0.00001127606],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.0004060541,0.0002119797,0.0003084295,0.0003367896,0.0000587723,0.0002213167,0.00003731149,0.006701467,0.9721582,0.002314392,0.0003596987,0.01688568],"study_design_scores_gemma":[0.0001963453,0.001716355,0.000511538,0.00002129823,0.00007744022,0.000442112,0.00002644266,0.009580912,0.9682717,0.0002860771,0.01883748,0.000032297],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.8460526,0.0146326,0.1173608,0.0005628394,0.0001902932,0.001208902,0.001386552,0.001013779,0.01759153],"genre_scores_gemma":[0.934496,0.009798809,0.04943022,0.0001929362,0.00002626757,0.000475469,0.001600002,0.00009484537,0.003885387],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0008291329,"threshold_uncertainty_score":0.004154921,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.005293047967177148,"score_gpt":0.1877760348426351,"score_spread":0.182482986875458,"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."}}