{"id":"W4234577312","doi":"10.1002/ange.201702626","title":"Observation of CH⋅⋅⋅π Interactions between Methyl and Carbonyl Groups in Proteins","year":2017,"lang":"en","type":"article","venue":"Angewandte Chemie","topic":"Molecular spectroscopy and chirality","field":"Chemistry","cited_by":7,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Ottawa","funders":"European Research Council; Canadian Network for Research and Innovation in Machining Technology, Natural Sciences and Engineering Research Council of Canada","keywords":"Chemistry; Non-covalent interactions; Biomolecule; Hydrogen bond; Amide; Scalar (mathematics); Computational chemistry; Protein–protein interaction; Chemical physics; Stereochemistry; Crystallography; Molecule; Organic chemistry","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":[0.0001088082,0.0001066812,0.0001974476,0.00002417256,0.00009298726,0.00003745963,0.0001813987,0.00008478925,0.0001152888],"category_scores_gemma":[0.0001205085,0.0001078842,0.00004769921,0.00003469869,0.00007753949,0.0001621144,0.00008694535,0.0001864394,0.000001162606],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00003954617,"about_ca_system_score_gemma":0.00001932753,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0006669196,"about_ca_topic_score_gemma":0.0002991844,"domain_scores_codex":[0.9993426,0.000007667676,0.0002032324,0.0001979629,0.0001077789,0.000140768],"domain_scores_gemma":[0.9992598,0.00002625586,0.0001876324,0.0004500397,0.00002919367,0.00004709977],"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":[0.00001288449,0.00003076689,0.1336653,0.0001121199,0.00002377685,0.000003206718,0.0002121491,1.368291e-7,0.8653423,0.0001308638,0.00002903575,0.0004374757],"study_design_scores_gemma":[0.000344554,0.000009278498,0.08192593,0.00007801314,0.0000229776,0.000001014741,0.00003499434,0.000004463612,0.9154764,0.0007871639,0.001218524,0.00009664804],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9724292,0.0001157361,0.00002925332,0.0003135088,0.0000255637,0.0000653774,0.00002560753,0.00001703397,0.02697876],"genre_scores_gemma":[0.9987187,0.00003005003,0.0004271676,0.00001745863,0.0001077749,0.00002497794,0.00003807817,0.00001110034,0.0006246476],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.05173937,"threshold_uncertainty_score":0.4399389,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.03651327884203608,"score_gpt":0.301316526530764,"score_spread":0.2648032476887279,"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."}}