{"id":"W1987985385","doi":"10.1002/adsc.201100459","title":"Molecular Basis of Chiral Acid Recognition by <i>Candida rugosa</i> Lipase: X‐Ray Structure of Transition State Analog and Modeling of the Hydrolysis of Methyl 2‐Methoxy‐2‐phenylacetate","year":2011,"lang":"en","type":"article","venue":"Advanced Synthesis & Catalysis","topic":"Enzyme Catalysis and Immobilization","field":"Biochemistry, Genetics and Molecular Biology","cited_by":26,"is_retracted":false,"has_abstract":true,"ca_institutions":"Biotechnology Research Institute; University of Saskatchewan; Canadian Light Source (Canada); McGill University","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Chemistry; Stereocenter; Enantiomer; Candida rugosa; Phosphonate; Stereochemistry; Lipase; Enantioselective synthesis; Phenylacetate; Crystal structure; Hydrolysis; Catalysis; Crystallography; Organic chemistry; Enzyme","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":[0.00006112847,0.0003703228,0.0002218561,0.00009418154,0.0002524109,0.0006471509,0.0004770942,0.0003581837,0.001115392],"category_scores_gemma":[0.0001357232,0.0002059587,0.0003310399,0.00009754931,0.0002594351,0.0001523103,0.0001227416,0.0003952857,0.0003186055],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0008904304,"about_ca_system_score_gemma":0.0003509483,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.005109917,"about_ca_topic_score_gemma":0.002110935,"domain_scores_codex":[0.9999478,0.000009063419,0.000002609931,0.000009300828,0.00001633013,0.00001492314],"domain_scores_gemma":[0.9999652,0.00000703577,0.00001185812,0.000003214575,0.000004800921,0.000007940072],"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":[0.0003631845,0.0001181621,0.002017123,0.00007161327,0.00004498045,0.0007009617,0.00008286997,0.04774128,0.9422515,0.003542992,0.0002202086,0.00284519],"study_design_scores_gemma":[0.0001652506,0.000552203,0.008672452,0.00002167451,0.00006075765,0.0003862398,0.0001692944,0.2824872,0.7026014,0.001250147,0.003578083,0.00005534723],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9941823,0.0001944664,0.003257099,0.00007390657,0.000005446533,0.00001553788,0.0001153544,0.00007212777,0.002083762],"genre_scores_gemma":[0.9975463,0.000113249,0.001477499,0.00001709659,0.000001462192,0.00001060413,0.0001895336,0.00001219543,0.0006322004],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.005109917,"threshold_uncertainty_score":0.01016033,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.0084885199352113,"score_gpt":0.2113170462528022,"score_spread":0.2028285263175909,"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."}}