{"id":"W2042743482","doi":"10.1007/s12551-013-0127-x","title":"Thiol redox biochemistry: insights from computer simulations","year":2014,"lang":"en","type":"review","venue":"Biophysical Reviews","topic":"Redox biology and oxidative stress","field":"Biochemistry, Genetics and Molecular Biology","cited_by":42,"is_retracted":false,"has_abstract":false,"ca_institutions":"University of Calgary","funders":"Comisión Sectorial de Investigación Científica; National Institutes of Health; Universidad de la República Uruguay; Howard Hughes Medical Institute; Agencia Nacional de Investigación e Innovación; Universidad de Buenos Aires; Agencia Nacional de Promoción Científica y Tecnológica; Consejo Nacional de Investigaciones Científicas y Técnicas","keywords":"Thiol; Chemistry; Cysteine; Redox; Hypochlorous acid; Reactivity (psychology); Nitrosylation; Protonation; Sulfenic acid; S-Nitrosylation; Combinatorial chemistry; Biochemistry; Organic chemistry; Enzyme; Nitric oxide","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":"codex-gemma-dda1882f352a","candidate_categories":["metaepi_narrow"],"consensus_categories":[],"category_scores_codex":[0.0000957422,0.0007236082,0.0021946,0.00004521351,0.0001219505,0.00003882149,0.0006741035,0.000892858,0.00006025234],"category_scores_gemma":[0.0001935356,0.0004987909,0.00111333,0.0001995492,0.0002294413,0.000003820719,0.0003302392,0.0003906767,0.0005582883],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00003148284,"about_ca_system_score_gemma":0.0001345369,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000007355862,"about_ca_topic_score_gemma":0.00000367075,"domain_scores_codex":[0.9969934,0.0005923211,0.0008647685,0.001105389,0.0001288543,0.0003152479],"domain_scores_gemma":[0.9978269,0.0001217103,0.0005967986,0.00120933,0.00006759195,0.000177668],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"design_other","study_design_gemma":"not_applicable","study_design_scores_codex":[0.000009540867,0.0001202584,0.000002048033,0.002767802,0.0002820858,0.00000316876,0.000005528601,0.000001134308,0.007832941,0.000136954,0.01233107,0.9765075],"study_design_scores_gemma":[0.0001292191,0.0001098055,0.000003486701,0.003027818,0.0003626427,0.000002582847,4.08204e-7,0.0000202798,0.001215044,0.00006322231,0.9944937,0.0005718277],"study_design_candidate":"not_applicable","study_design_consensus":null,"genre_codex":"review","genre_gemma":"review","genre_scores_codex":[0.0001772196,0.996711,0.001111172,0.00001179531,0.0003532399,0.0008089835,0.0003670131,0.00002375038,0.0004358811],"genre_scores_gemma":[0.0001856238,0.9858649,0.0008115083,0.0002074482,0.003677269,0.000113569,0.008581166,0.00005877875,0.0004997833],"genre_candidate":"review","genre_consensus":"review","teacher_disagreement_score":0.9821626,"threshold_uncertainty_score":0.9997464,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.03021834599140977,"score_gpt":0.3359606605856346,"score_spread":0.3057423145942249,"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."}}