{"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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001849065,0.0001175225,0.00008277959,0.0001538775,0.0001039058,0.0001850242,0.0001445255,0.0001274049,0.001020809],"category_scores_gemma":[0.0003004035,0.00008056675,0.00009453957,0.0001377729,0.0002039125,0.0002342571,0.0001111047,0.0002660014,0.0001029284],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001145762,"about_ca_system_score_gemma":0.00007767442,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0004407058,"about_ca_topic_score_gemma":0.0005048277,"domain_scores_codex":[0.9999442,0.000008733364,0.000002403061,0.00001206273,0.00001999846,0.00001259364],"domain_scores_gemma":[0.9998312,0.00005689622,0.00004483691,0.00001763185,0.00001810162,0.00003135905],"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":[0.0001007764,0.00001294264,0.001627523,0.00001625437,0.000007875436,0.0000265794,0.00002672529,0.000345199,0.996556,0.0001175575,0.00001779625,0.001144751],"study_design_scores_gemma":[0.000008810579,0.0001753943,0.02129702,0.000002534755,0.00001102823,0.0001461478,0.00005032131,0.01038936,0.9673998,0.0001913764,0.0003120273,0.0000161153],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9976494,0.0001290931,0.001776858,0.00001406926,0.000001931593,0.000002830113,0.00006590972,0.000008444492,0.0003514574],"genre_scores_gemma":[0.9987451,0.00005814172,0.0008888885,0.000007548637,0.00000215097,0.000003742942,0.00005833622,0.000005576095,0.0002304946],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001020809,"threshold_uncertainty_score":0.003414989,"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."}}