{"id":"W4254864299","doi":"10.1139/cjc-78-3-395","title":"Peptide models XXVII. An e×ploratory ab initio study on the 21<sup>st</sup> amino acid side-chain conformations of <i>N</i>-formyl-L-selenocysteinamide (For-L-Sec-NH<sub>2</sub>) and <i> N</i>-acetyl-L-selenocysteine-<i>N</i>-methylamide (Ac-L-Sec-NHMe) in their γ<sub>L</sub> backbone conformation","year":2000,"lang":"en","type":"article","venue":"Canadian Journal of Chemistry","topic":"Amino Acid Enzymes and Metabolism","field":"Biochemistry, Genetics and Molecular Biology","cited_by":1,"is_retracted":false,"has_abstract":false,"ca_institutions":"","funders":"","keywords":"Chemistry; Ab initio; Chain (unit); Stereochemistry; Side chain; Peptide; Crystallography; Physics; Organic chemistry; Biochemistry","routes":{"ca_aff":false,"ca_fund":false,"ca_venue":true,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001854495,0.0005829306,0.0006058274,0.0003452035,0.0007154492,0.0007992393,0.0009270762,0.001001188,0.01023199],"category_scores_gemma":[0.0003646575,0.000326936,0.0004500806,0.0004955461,0.0002924532,0.0005635263,0.0002568827,0.0005802006,0.001249324],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0006706777,"about_ca_system_score_gemma":0.0008945415,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.003119798,"about_ca_topic_score_gemma":0.004094713,"domain_scores_codex":[0.9999343,0.00001069964,0.000002083976,0.000009553944,0.00002283298,0.00002050487],"domain_scores_gemma":[0.9999051,0.00003266623,0.00001236864,0.0000121612,0.00002138782,0.00001628078],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.0003261869,0.0002235258,0.0009289738,0.0003485011,0.00004585477,0.0008820934,0.0001568321,0.9186569,0.01893742,0.04648048,0.002984735,0.01002843],"study_design_scores_gemma":[0.0001588868,0.0001955764,0.0008438151,0.00004215245,0.00002242841,0.00007992479,0.0001661647,0.9796945,0.003110435,0.01179627,0.003868045,0.00002183248],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.8866761,0.001508476,0.03043919,0.000809026,0.0001616994,0.0001416285,0.002113998,0.0003153319,0.07783462],"genre_scores_gemma":[0.965557,0.001171164,0.01848814,0.0002158437,0.00003637301,0.0003535746,0.002174081,0.0001656347,0.01183819],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01023199,"threshold_uncertainty_score":0.03422946,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01291887874051642,"score_gpt":0.2144370153269118,"score_spread":0.2015181365863954,"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."}}