{"id":"W1993674374","doi":"10.1021/jp4070906","title":"Atropisomerism of the Asn α Radicals Revealed by Ramachandran Surface Topology","year":2013,"lang":"en","type":"article","venue":"The Journal of Physical Chemistry B","topic":"Molecular spectroscopy and chirality","field":"Chemistry","cited_by":7,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Toronto","funders":"","keywords":"Ramachandran plot; Radical; Chemistry; Enantiomer; Atropisomer; Stereochemistry; Chirality (physics); Crystallography; Amino acid; Protein structure; 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":["insufficient_payload"],"consensus_categories":[],"category_scores_codex":[0.0001798624,0.0001612091,0.0003728847,0.000003196787,0.00008799227,0.00001495702,0.0007869189,0.0001024743,0.001175859],"category_scores_gemma":[0.0000940352,0.00008621644,0.0003237378,0.00008166911,0.0003825008,0.00005167316,0.0001003537,0.0006522659,0.000007787793],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00003972864,"about_ca_system_score_gemma":0.00005116138,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00004219013,"about_ca_topic_score_gemma":2.529764e-7,"domain_scores_codex":[0.9987869,0.00008935844,0.0004124297,0.0001058464,0.0003709241,0.0002345977],"domain_scores_gemma":[0.9986175,0.0001618757,0.0005510083,0.0004647607,0.00009587827,0.0001089492],"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":[0.00004711883,0.0001529463,0.0002688718,0.00008384284,0.00008388361,0.000001374132,0.0001691739,0.00002692008,0.9956326,0.00003772797,0.003382222,0.0001132754],"study_design_scores_gemma":[0.0004817346,0.00003326742,0.0001856,0.00004618069,0.00008872767,0.00004562458,0.00009247321,0.0001107165,0.9959739,0.001699438,0.001149383,0.00009299452],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9929925,0.0003818253,0.00008029652,0.00187738,0.00003522484,0.00004446716,0.00001167268,0.000007371761,0.004569232],"genre_scores_gemma":[0.9980273,0.00003665797,0.00003219745,0.000100553,0.0003331942,0.00000123344,0.000001728345,0.00001401826,0.001453136],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.00503475,"threshold_uncertainty_score":0.9997372,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.003841266111643735,"score_gpt":0.2284592344848767,"score_spread":0.224617968373233,"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."}}