{"id":"W4367048203","doi":"10.1021/jacs.2c13104","title":"Glycan Stability and Flexibility: Thermodynamic and Kinetic Characterization of Nonconventional Hydrogen Bonding in Lewis Antigens","year":2023,"lang":"en","type":"article","venue":"Journal of the American Chemical Society","topic":"Carbohydrate Chemistry and Synthesis","field":"Chemistry","cited_by":28,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Guelph","funders":"Natural Sciences and Engineering Research Council of Canada; Göteborgs Universitet; Vetenskapsrådet; Canada Foundation for Innovation; Government of Ontario; Ontario Innovation Trust; U.S. Food and Drug Administration; Knut och Alice Wallenbergs Stiftelse; World Bank Group; Research Corporation for Science Advancement","keywords":"Chemistry; Hydrogen bond; Lewis acids and bases; Molecule; Rhamnose; Catalysis; Computational chemistry; Stereochemistry; Crystallography; Organic chemistry; Galactose","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":[0.0003446538,0.0001120593,0.0003325564,0.00001651239,0.00003971954,0.00001313125,0.00015928,0.00006042411,0.00005087546],"category_scores_gemma":[0.000119042,0.00008661448,0.0002282413,0.0003237938,0.0004919526,0.00005962715,0.000120009,0.0002344051,1.779184e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001088067,"about_ca_system_score_gemma":0.00004913777,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00002611536,"about_ca_topic_score_gemma":0.000001046923,"domain_scores_codex":[0.9990075,0.00002868945,0.0004169299,0.0001638367,0.0002237271,0.0001592902],"domain_scores_gemma":[0.9990646,0.0001583516,0.0004926389,0.0001669207,0.00005163027,0.00006581964],"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":[0.00003748504,0.00004475557,0.05970092,0.00009974923,0.00004840805,0.000001151569,0.000413967,0.000001516926,0.9388927,0.000005772954,0.000006585148,0.0007470137],"study_design_scores_gemma":[0.0002596171,0.00000973109,0.04557612,0.00007876694,0.00003724408,0.00002208341,0.000648487,0.001683776,0.9512994,0.0002505928,0.00004441113,0.00008973419],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.999225,0.00003743827,0.000003377744,0.0005589293,0.00001684343,0.00003051903,0.00003569292,0.000009068272,0.00008309869],"genre_scores_gemma":[0.9996487,0.0001481264,0.00005319175,0.00003275651,0.00006057412,0.000001672063,0.000007012593,0.00001062577,0.00003736496],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0141248,"threshold_uncertainty_score":0.3532036,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01672612367438199,"score_gpt":0.2459850940274194,"score_spread":0.2292589703530374,"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."}}