{"id":"W2074921617","doi":"10.1016/j.bbamem.2010.11.030","title":"Conformational choreography of a molecular switch region in myelin basic protein—Molecular dynamics shows induced folding and secondary structure type conversion upon threonyl phosphorylation in both aqueous and membrane-associated environments","year":2010,"lang":"en","type":"article","venue":"Biochimica et Biophysica Acta (BBA) - Biomembranes","topic":"Protein Structure and Dynamics","field":"Biochemistry, Genetics and Molecular Biology","cited_by":33,"is_retracted":false,"has_abstract":false,"ca_institutions":"University of Guelph; University of Calgary","funders":"Natural Sciences and Engineering Research Council of Canada; Canadian Institutes of Health Research; Fondation pour la Recherche Médicale; Alberta Heritage Foundation for Medical Research; Compute Canada","keywords":"Biophysics; Myelin basic protein; Chemistry; Protein secondary structure; Helix (gastropod); Membrane protein; Molecular dynamics; Peptide; Folding (DSP implementation); Membrane; Myelin; Peptide sequence; Protein structure; Crystallography; Biochemistry; Biology","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":[0.0000623051,0.0001221963,0.00008464226,0.0001606677,0.0003425513,0.0002225127,0.0002412059,0.0001619468,0.002062411],"category_scores_gemma":[0.0002227803,0.0001192738,0.000102744,0.0001198168,0.0003639735,0.0003055932,0.0001683003,0.000582337,0.000124015],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003235296,"about_ca_system_score_gemma":0.0001275193,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001259849,"about_ca_topic_score_gemma":0.0009954021,"domain_scores_codex":[0.9999821,0.000001973381,5.787192e-7,0.000004741351,0.000004938361,0.00000568936],"domain_scores_gemma":[0.9998815,0.00004609138,0.0000210173,0.00001154204,0.00000854464,0.00003129156],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.0005168286,0.00006546533,0.00226142,0.0000460676,0.00002784955,0.0006144936,0.000322148,0.002396582,0.9884736,0.001462904,0.0003900639,0.003422604],"study_design_scores_gemma":[0.0000884302,0.0004842602,0.06338967,0.0000154922,0.00004449774,0.0007122551,0.0003056349,0.04162712,0.8900182,0.001087447,0.002178966,0.00004815502],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9972904,0.00007533241,0.001222762,0.00007981974,0.000005939485,0.00000438696,0.00005772104,0.00005052002,0.001213144],"genre_scores_gemma":[0.9987405,0.0000629721,0.0005113947,0.00001700585,0.000003033805,0.000005581528,0.0000728298,0.0000184268,0.0005683926],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002062411,"threshold_uncertainty_score":0.006899476,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.004133840854745882,"score_gpt":0.2050203038823745,"score_spread":0.2008864630276286,"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."}}