{"id":"W2106941934","doi":"10.1107/s1399004715000978","title":"Snapshots of ligand entry, malleable binding and induced helical movement in P-glycoprotein","year":2015,"lang":"en","type":"article","venue":"Acta Crystallographica Section D Biological Crystallography","topic":"Drug Transport and Resistance Mechanisms","field":"Medicine","cited_by":181,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"National Institute of Environmental Health Sciences; National Institute of General Medical Sciences; National Health and Medical Research Council; U.S. Public Health Service; National Institutes of Health; Canadian Light Source","keywords":"Transporter; Ligand (biochemistry); ATP hydrolysis; P-glycoprotein; ATP-binding cassette transporter; Conformational change; Chemistry; Transmembrane protein; Binding site; Biochemistry; Nucleotide; Plasma protein binding; Biophysics; Transmembrane domain; Stereochemistry; Receptor; Biology; Enzyme; ATPase; Antibiotics; Gene","routes":{"ca_aff":false,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001601017,0.0004913562,0.0005523897,0.0003975205,0.001069718,0.0008917171,0.0008149414,0.001176866,0.005469212],"category_scores_gemma":[0.0003739892,0.0004851724,0.0005743562,0.0005618918,0.0006346236,0.0009448571,0.0005929291,0.002712965,0.0004948555],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00173985,"about_ca_system_score_gemma":0.001032139,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.007307138,"about_ca_topic_score_gemma":0.008268528,"domain_scores_codex":[0.9998382,0.00001862865,0.000005149501,0.00001677619,0.00005394575,0.00006726744],"domain_scores_gemma":[0.9997837,0.00007959893,0.00002962802,0.00001537191,0.00002186227,0.00006981145],"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":[0.008084497,0.003011159,0.02923482,0.003224739,0.0008778347,0.01934588,0.003097099,0.2643195,0.4554857,0.06535487,0.0749868,0.07297707],"study_design_scores_gemma":[0.001558617,0.003095848,0.1139943,0.0006601198,0.0005259823,0.005074353,0.002976805,0.6783489,0.1071652,0.03187944,0.05417015,0.0005503516],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.95767,0.005027617,0.006269359,0.00290497,0.0001851832,0.00007545746,0.002656698,0.001390736,0.02381986],"genre_scores_gemma":[0.9827662,0.004265764,0.005952267,0.0003679267,0.00004256572,0.00007611592,0.002811037,0.0001213693,0.003596827],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.007307138,"threshold_uncertainty_score":0.0182963,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.0354215457501092,"score_gpt":0.2520628938526316,"score_spread":0.2166413481025224,"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."}}