{"id":"W3036146353","doi":"10.1074/jbc.ra120.012948","title":"Protein docking and steered molecular dynamics suggest alternative phospholamban-binding sites on the SERCA calcium transporter","year":2020,"lang":"en","type":"article","venue":"Journal of Biological Chemistry","topic":"Ion channel regulation and function","field":"Biochemistry, Genetics and Molecular Biology","cited_by":23,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Alberta","funders":"National Institute of General Medical Sciences; National Heart, Lung, and Blood Institute","keywords":"SERCA; Phospholamban; Docking (animal); Biophysics; Chemistry; Endoplasmic reticulum; Calcium ATPase; Rational design; Molecular motor; Cell biology; Binding site; Transmembrane domain; ATPase; Biochemistry; Calcium-binding protein; Molecular dynamics; Biology; Calcium; Enzyme; Amino acid; Genetics","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":[0.0002986285,0.0005990929,0.0006699973,0.0003444868,0.0006331106,0.0007357313,0.000785952,0.0007377597,0.001172042],"category_scores_gemma":[0.0005834219,0.0004481481,0.000675811,0.0002399109,0.000792416,0.000664975,0.0004837529,0.0006045627,0.0001502916],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0008846966,"about_ca_system_score_gemma":0.001166595,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.01567552,"about_ca_topic_score_gemma":0.01060883,"domain_scores_codex":[0.9998897,0.00003230533,0.000004312519,0.00002082966,0.00002107238,0.00003169538],"domain_scores_gemma":[0.9998568,0.00003758792,0.00002653589,0.00001220115,0.00002155781,0.00004519593],"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":[0.0001721274,0.00007858441,0.001717304,0.00002565768,0.00004339603,0.0001536495,0.00007042844,0.9845009,0.009275181,0.002562419,0.0001002102,0.00130021],"study_design_scores_gemma":[0.00004531738,0.00004306601,0.0005281224,0.000002508797,0.000009934261,0.000009018615,0.00002735487,0.9979011,0.0008704896,0.0004884274,0.00006659261,0.000008035594],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9881472,0.00005614956,0.01019044,0.0001211439,0.000009667503,0.00001802775,0.0000429749,0.00008626238,0.001328141],"genre_scores_gemma":[0.9954644,0.00008819105,0.004050566,0.00003097055,0.000001922604,0.00002692647,0.00006294987,0.00001491859,0.0002591753],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01567552,"threshold_uncertainty_score":0.03116852,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.03193677739350945,"score_gpt":0.2476335709710748,"score_spread":0.2156967935775654,"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."}}