{"id":"W1974075455","doi":"10.1002/prot.10414","title":"Atoms‐in‐molecules study of the genetically encoded amino acids. III. Bond and atomic properties and their correlations with experiment including mutation‐induced changes in protein stability and genetic coding","year":2003,"lang":"en","type":"article","venue":"Proteins Structure Function and Bioinformatics","topic":"DNA and Nucleic Acid Chemistry","field":"Biochemistry, Genetics and Molecular Biology","cited_by":98,"is_retracted":false,"has_abstract":true,"ca_institutions":"McMaster University; University of Toronto","funders":"","keywords":"Chemistry; van der Waals force; Side chain; Molecule; Computational chemistry; Atoms in molecules; Charge (physics); Chemical physics; Thermodynamics; Physics; Quantum mechanics; Polymer; 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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0003657495,0.0002279618,0.0002106678,0.000389971,0.0002161701,0.0002492589,0.0003706948,0.000327075,0.0009053641],"category_scores_gemma":[0.0009784512,0.0001358293,0.0002173694,0.0003108149,0.000945135,0.0005858107,0.0002792,0.0009683689,0.0001535896],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003770264,"about_ca_system_score_gemma":0.0001529705,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0004519183,"about_ca_topic_score_gemma":0.0002616677,"domain_scores_codex":[0.999816,0.00003301989,0.000005305575,0.00003671185,0.00009164716,0.00001722484],"domain_scores_gemma":[0.9995942,0.000210256,0.00007980394,0.00005774386,0.00004259621,0.00001550865],"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":[0.0001772877,0.00008962441,0.005405631,0.0001714774,0.00004919609,0.0001322154,0.000136138,0.01059851,0.9499198,0.02072471,0.0001137304,0.01248163],"study_design_scores_gemma":[0.00001398677,0.0005042424,0.02203625,0.00001320747,0.00002172101,0.0003765575,0.0001933803,0.07780083,0.8837449,0.01143994,0.003816221,0.00003881539],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9377772,0.002629291,0.05499588,0.0001789757,0.00003999205,0.00003989244,0.0001788138,0.00008601644,0.00407392],"genre_scores_gemma":[0.988117,0.0008530948,0.01009875,0.00003321625,0.00001719493,0.00002933743,0.0001077555,0.00001644915,0.0007272959],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0009053641,"threshold_uncertainty_score":0.00302875,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01610989239390051,"score_gpt":0.2076259677711443,"score_spread":0.1915160753772437,"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."}}