{"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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002674344,0.0002324645,0.0005961287,0.0001408026,0.0000469408,0.000003801802,0.0002244215,0.0001384298,0.00002092218],"category_scores_gemma":[0.0002029825,0.000191561,0.0003655054,0.0005006582,0.0002106425,0.00003191196,0.00006098095,0.00007423577,1.131672e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00001033012,"about_ca_system_score_gemma":0.00003421819,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0001229736,"about_ca_topic_score_gemma":0.0000489843,"domain_scores_codex":[0.9982296,0.0002105624,0.0007275364,0.0004030417,0.0002525585,0.0001766898],"domain_scores_gemma":[0.9983322,0.0000374486,0.0006755585,0.0006012087,0.0003012235,0.00005233505],"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":[0.0001980365,0.00009060049,0.0001306822,0.000142989,0.0004939827,1.869982e-7,0.0003395773,0.01042025,0.9753011,0.000004293175,0.000002613661,0.0128757],"study_design_scores_gemma":[0.0003257833,0.0001092342,0.0001119015,0.0000720469,0.0009845031,0.000001413213,0.0002300116,0.002392146,0.9952441,0.0003418406,0.000007225939,0.0001798005],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9696508,0.002031028,0.02730392,0.00001825259,0.00002040192,0.0001809749,0.0007287262,0.000004335726,0.00006155069],"genre_scores_gemma":[0.994766,0.0009279439,0.003763788,0.00002772422,0.00000646552,0.00001754376,0.0004539516,0.00002916872,0.000007439323],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.02511517,"threshold_uncertainty_score":0.7811633,"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."}}