{"id":"W2514857205","doi":"10.1021/acs.jpcb.6b06731","title":"Structure and Dynamics of Extracellular Loops in Human Aquaporin-1 from Solid-State NMR and Molecular Dynamics","year":2016,"lang":"en","type":"article","venue":"The Journal of Physical Chemistry B","topic":"Advanced NMR Techniques and Applications","field":"Chemistry","cited_by":29,"is_retracted":false,"has_abstract":true,"ca_institutions":"Hospital for Sick Children; University of Toronto; University of Guelph","funders":"Division of Materials Research; Canadian Institutes of Health Research; Division of Chemical, Bioengineering, Environmental, and Transport Systems; Natural Sciences and Engineering Research Council of Canada; Government of Canada","keywords":"Molecular dynamics; Nuclear magnetic resonance spectroscopy; Chemistry; Side chain; Magic angle spinning; Solid-state nuclear magnetic resonance; Extracellular; Crystallography; Chemical physics; Chemical shift; Nuclear magnetic resonance; Stereochemistry; Computational chemistry; Physical chemistry; Organic chemistry; Physics; Biochemistry","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":[0.000178737,0.0002409388,0.0001747013,0.0001445945,0.0003641019,0.0003242979,0.0002964702,0.0003208839,0.0005054811],"category_scores_gemma":[0.0004267952,0.0002062377,0.0002165608,0.0002118561,0.0004247332,0.0004470631,0.0001871339,0.0003870567,0.00008700942],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0007510261,"about_ca_system_score_gemma":0.0007108895,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.005627599,"about_ca_topic_score_gemma":0.005480041,"domain_scores_codex":[0.9999431,0.000009871775,0.000002625672,0.00001249912,0.00002353807,0.000008377467],"domain_scores_gemma":[0.9999053,0.00004024201,0.00001638354,0.000007862081,0.00001650836,0.00001377389],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.0004080415,0.0001835287,0.004515867,0.000155009,0.00005966362,0.0003055641,0.0004272749,0.7815183,0.1868605,0.01103697,0.0007880038,0.01374128],"study_design_scores_gemma":[0.00004278505,0.00006085152,0.002066808,0.000009967864,0.00001316325,0.00002989146,0.00004139878,0.9799716,0.0143623,0.002427451,0.00095254,0.00002127975],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.989063,0.0001972567,0.008635946,0.0001691652,0.000009409801,0.00001580666,0.000184572,0.00008207739,0.001642759],"genre_scores_gemma":[0.9908363,0.0002360726,0.008083029,0.00002314969,0.000004345341,0.00002826329,0.0004892742,0.00002580657,0.00027383],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.005627599,"threshold_uncertainty_score":0.0111897,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.004763185504979071,"score_gpt":0.2552753842870332,"score_spread":0.2505121987820542,"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."}}