{"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":"codex-gemma-dda1882f352a","candidate_categories":["metaepi_narrow"],"consensus_categories":[],"category_scores_codex":[0.0001828892,0.0003767749,0.0003805866,0.0003146082,0.00006779061,0.00004686368,0.0002146914,0.0005667711,0.000006086694],"category_scores_gemma":[0.00005471565,0.0003769961,0.00008935329,0.0003956259,0.0001975898,0.00004855295,0.0001612081,0.0003985058,3.340327e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00004075493,"about_ca_system_score_gemma":0.00013132,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0001099776,"about_ca_topic_score_gemma":0.0002400212,"domain_scores_codex":[0.9982779,0.0001048021,0.0004639096,0.0005712886,0.0002590753,0.0003230123],"domain_scores_gemma":[0.9991308,0.00002134035,0.0003448813,0.0003506356,0.00005144921,0.0001009099],"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":[0.000344213,0.0000773651,0.0003316735,0.0001251793,0.00007342538,0.000009502483,0.0001800037,0.00001263666,0.997456,0.0002439518,0.000001435846,0.0011446],"study_design_scores_gemma":[0.001628661,0.0002835647,0.01338386,0.00007490998,0.00003456543,0.00002073089,0.00006835691,0.002532333,0.9809208,0.0006169499,0.00002676248,0.0004084933],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9984852,0.0002300171,0.00004755378,0.0001847673,0.0000978765,0.0007771983,0.0001185414,0.00001462707,0.00004418829],"genre_scores_gemma":[0.9982508,0.0001812579,0.0003602684,0.0001415948,0.00002438854,0.00001967082,0.0009730967,0.00004148015,0.000007476165],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0165352,"threshold_uncertainty_score":0.9998682,"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."}}