{"id":"W1999680479","doi":"10.1021/ja9060454","title":"Hydrophobic Protein−Ligand Interactions Preserved in the Gas Phase","year":2009,"lang":"en","type":"article","venue":"Journal of the American Chemical Society","topic":"Hemoglobin structure and function","field":"Biochemistry, Genetics and Molecular Biology","cited_by":95,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Alberta","funders":"Amgen","keywords":"Chemistry; Ligand (biochemistry); Gas phase; Phase (matter); Protein–protein interaction; Biophysics; Receptor; Biochemistry; Organic chemistry","routes":{"ca_aff":true,"ca_fund":false,"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":[0.0001886188,0.00008454318,0.0001297938,0.000007270809,0.00005201896,0.00001921711,0.0003231047,0.00003857884,0.000006485757],"category_scores_gemma":[0.00007469585,0.00004482011,0.0003027526,0.0001763941,0.0001189588,0.000006082992,0.00003399292,0.0003090693,6.628578e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000031116,"about_ca_system_score_gemma":0.00004379875,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00001042454,"about_ca_topic_score_gemma":0.000001028364,"domain_scores_codex":[0.9993426,0.00006060797,0.0002124564,0.00009698307,0.0001544892,0.0001328704],"domain_scores_gemma":[0.9994221,0.00001473145,0.0002657949,0.0002084118,0.0000522396,0.00003670308],"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":[0.0001123561,0.000106005,0.0002033223,0.000001792614,0.00002576371,0.000001025835,0.0001019765,0.000008685803,0.9832941,0.000001747112,0.01377996,0.002363251],"study_design_scores_gemma":[0.0007255094,0.0003857568,0.00162368,0.00001737548,0.00002690231,0.0001129173,0.0003409182,0.00005091699,0.9625595,0.0002787216,0.03379504,0.0000827648],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9949183,0.00007844272,0.00008598165,0.004480048,0.00007121191,0.00009719159,0.000001966336,0.000001744269,0.0002650597],"genre_scores_gemma":[0.9964718,0.00004084623,0.0003226924,0.002557635,0.0005395566,0.000002494218,0.000002473035,0.000004725616,0.00005778748],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.02073462,"threshold_uncertainty_score":0.1827711,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.00861557306416955,"score_gpt":0.2763946284155525,"score_spread":0.267779055351383,"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."}}