{"id":"W2027685125","doi":"10.1021/bi201059a","title":"Structure and Dynamics of <i>Mycobacterium tuberculosis</i> Truncated Hemoglobin N: Insights from NMR Spectroscopy and Molecular Dynamics Simulations","year":2011,"lang":"en","type":"article","venue":"Biochemistry","topic":"Hemoglobin structure and function","field":"Biochemistry, Genetics and Molecular Biology","cited_by":23,"is_retracted":false,"has_abstract":true,"ca_institutions":"Université Laval","funders":"","keywords":"Molecular dynamics; Chemistry; Crystallography; Nuclear magnetic resonance spectroscopy; Heme; Helix (gastropod); Stereochemistry; Protein structure; Crystal structure; Computational chemistry; Biochemistry; Biology; Enzyme","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":[0.0001444483,0.0002617088,0.0002994464,0.0001753492,0.0003391094,0.0003459604,0.0004090146,0.0005617317,0.0007442842],"category_scores_gemma":[0.0003656064,0.0001733126,0.0002559361,0.0001783507,0.0005073323,0.0003595136,0.0002096417,0.0004307451,0.0001071459],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0008125408,"about_ca_system_score_gemma":0.0006934597,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.009641854,"about_ca_topic_score_gemma":0.00419805,"domain_scores_codex":[0.9999539,0.000009656441,0.000001749874,0.00001087918,0.00001050349,0.00001327743],"domain_scores_gemma":[0.9998891,0.00003467864,0.0000202697,0.000005782772,0.0000186139,0.00003148817],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.0003227164,0.000199716,0.006722278,0.0001043109,0.00006597899,0.0005292451,0.000230996,0.9143154,0.06601363,0.005376195,0.0009095611,0.005209952],"study_design_scores_gemma":[0.00003544039,0.00005953487,0.002053665,0.000007607429,0.000009060378,0.00002046503,0.00003192972,0.9944833,0.002217827,0.0006306671,0.0004384402,0.00001195199],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9908416,0.0002462391,0.005473669,0.0002927376,0.00001522436,0.00001238285,0.0001703048,0.00008820487,0.002859497],"genre_scores_gemma":[0.9960209,0.0001696707,0.003011195,0.00005377178,0.000004973899,0.00001759366,0.0002992803,0.00002938495,0.0003932887],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.009641854,"threshold_uncertainty_score":0.01917148,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.003941537893570182,"score_gpt":0.1973825659232757,"score_spread":0.1934410280297055,"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."}}