{"id":"W1970572417","doi":"10.1021/ja406995j","title":"Protein Dielectric Constants Determined from NMR Chemical Shift Perturbations","year":2013,"lang":"en","type":"article","venue":"Journal of the American Chemical Society","topic":"Protein Structure and Dynamics","field":"Biochemistry, Genetics and Molecular Biology","cited_by":93,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of British Columbia","funders":"National Institute of General Medical Sciences; Canadian Institutes of Health Research","keywords":"Poisson–Boltzmann equation; Chemistry; Dielectric; Electric field; Coulomb; Boltzmann constant; Thermodynamics; Constant (computer programming); Electrostatics; Computational chemistry; Statistical physics; Physical chemistry; Quantum mechanics; Physics; Organic chemistry; Electron; Ion","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":[0.0009011251,0.0005566839,0.0003162912,0.0004885463,0.000323992,0.0003912318,0.0005321491,0.0003750115,0.0007592942],"category_scores_gemma":[0.002567927,0.0002991517,0.0002648631,0.0006414137,0.0005867825,0.0006121764,0.0005636323,0.0009963618,0.000316274],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003984375,"about_ca_system_score_gemma":0.0003286432,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0008842735,"about_ca_topic_score_gemma":0.0007317541,"domain_scores_codex":[0.9995859,0.00004831035,0.00003358939,0.0001073442,0.0001584385,0.0000663106],"domain_scores_gemma":[0.9990226,0.0003640418,0.0002540595,0.00006299987,0.0002238444,0.0000724175],"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":[0.00008661291,0.00003026458,0.003078269,0.00006796548,0.00002275571,0.0000610328,0.00008980553,0.001222866,0.9917984,0.0002185579,0.00008393315,0.00323962],"study_design_scores_gemma":[0.000008472141,0.0001923325,0.01317129,0.00001683276,0.00003721856,0.0002032351,0.0001487216,0.006838765,0.9781578,0.0004321485,0.0007662268,0.00002681911],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9802346,0.000568662,0.01746337,0.00005980726,0.00001676897,0.00003273719,0.0003346356,0.0001017479,0.001187635],"genre_scores_gemma":[0.9791221,0.001093947,0.01827785,0.00008742083,0.000008490722,0.00008905378,0.0006342285,0.00004241371,0.0006444609],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0009011251,"threshold_uncertainty_score":0.00476563,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.004648144846583042,"score_gpt":0.2211050826287422,"score_spread":0.2164569377821592,"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."}}