{"id":"W2046002103","doi":"10.1038/nature04105","title":"Intrinsic dynamics of an enzyme underlies catalysis","year":2005,"lang":"en","type":"article","venue":"Nature","topic":"Signaling Pathways in Disease","field":"Biochemistry, Genetics and Molecular Biology","cited_by":1114,"is_retracted":false,"has_abstract":false,"ca_institutions":"University of Toronto","funders":"Canadian Institutes of Health Research; National Institutes of Health; Vetenskapsrådet; National High Magnetic Field Laboratory","keywords":"Enzyme catalysis; Chemistry; Protein dynamics; Catalysis; Enzyme; Function (biology); Cypa; Protein structure; Isomerase; Active site; Molecular dynamics; Protein engineering; Biophysics; Stereochemistry; Cyclophilin A; Computational chemistry; Biochemistry; Biology","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":[0.0007431825,0.0004122989,0.0005894596,0.0002657289,0.0004260752,0.001561849,0.001066781,0.0009378135,0.001749362],"category_scores_gemma":[0.002407131,0.0004963502,0.0004386456,0.0001965597,0.001446885,0.002405295,0.0009298468,0.001568765,0.0005905404],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0007511421,"about_ca_system_score_gemma":0.0004159045,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0002463853,"about_ca_topic_score_gemma":0.0001619625,"domain_scores_codex":[0.9996947,0.00003614009,0.00002017768,0.0001122817,0.00008555457,0.0000512349],"domain_scores_gemma":[0.9993356,0.0003206821,0.00006332517,0.0001610914,0.00005051583,0.0000686822],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"theoretical_or_conceptual","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.0003036584,0.0001420215,0.004274595,0.0003821272,0.0001096712,0.0009579373,0.0004140267,0.02407568,0.4056762,0.534312,0.001363987,0.02798823],"study_design_scores_gemma":[0.0000946443,0.0003257575,0.00311885,0.00003337125,0.00007091255,0.001682346,0.0002198017,0.2734003,0.2918482,0.4191977,0.009888922,0.0001191413],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.7860731,0.002673922,0.1903939,0.002408813,0.0004732598,0.00005896844,0.000171066,0.0006235571,0.01712341],"genre_scores_gemma":[0.9948119,0.0005989409,0.003394476,0.00004695878,0.00004078457,0.00002031924,0.00005283435,0.00003244709,0.001001369],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001749362,"threshold_uncertainty_score":0.005852222,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.004836684631991604,"score_gpt":0.2499587949413852,"score_spread":0.2451221103093936,"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."}}