{"id":"W2325839695","doi":"10.1021/bi101454f","title":"The Role of Local Hydration and Hydrogen-Bonding Dynamics in Ion and Solute Release from Ion-Coupled Secondary Transporters","year":2011,"lang":"en","type":"article","venue":"Biochemistry","topic":"Ion channel regulation and function","field":"Biochemistry, Genetics and Molecular Biology","cited_by":58,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Calgary","funders":"University of Canterbury","keywords":"Chemistry; Molecular dynamics; Sodium; Ion; Symporter; Biophysics; Binding site; Cotransporter; Transporter; Potential of mean force; Hydrogen bond; Salt bridge; Biochemistry; Molecule; Computational chemistry; Mutant; Biology","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":[0.0002723148,0.0003210109,0.0004310302,0.0002485143,0.0007437426,0.0004689627,0.0005727554,0.000513332,0.000806626],"category_scores_gemma":[0.0005900228,0.0002677673,0.000366959,0.0001587176,0.0008825298,0.001105608,0.0004875171,0.0003631055,0.000108676],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0006232053,"about_ca_system_score_gemma":0.000686335,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00360517,"about_ca_topic_score_gemma":0.002064105,"domain_scores_codex":[0.9999201,0.00001854848,0.000004265497,0.00001266234,0.00001731135,0.00002703848],"domain_scores_gemma":[0.9998662,0.00003815149,0.00002379131,0.00001293114,0.00002135222,0.00003743324],"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":[0.0004411695,0.0002993816,0.012252,0.0001726353,0.0001147651,0.001180479,0.0005995317,0.8130062,0.1449134,0.01722225,0.0003733257,0.009424814],"study_design_scores_gemma":[0.00005348413,0.000115103,0.004731785,0.000007386757,0.00001531531,0.00006453129,0.0001001371,0.9843903,0.006067316,0.004198466,0.0002305165,0.00002558246],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9915053,0.0001286853,0.007269083,0.0001229773,0.000008985423,0.00001341698,0.0000220806,0.00004118968,0.0008881923],"genre_scores_gemma":[0.9987015,0.00007857915,0.001031101,0.00001062076,0.000002877893,0.00001271381,0.00002721189,0.00001575074,0.0001197173],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.00360517,"threshold_uncertainty_score":0.007168353,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.005213087235816032,"score_gpt":0.18315930432493,"score_spread":0.177946217089114,"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."}}