{"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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00009317548,0.00009159697,0.0000775293,0.00001764112,0.00006208254,0.000007871918,0.00004811401,0.000150828,0.000009095495],"category_scores_gemma":[0.00001117654,0.00008245515,0.00002895337,0.00004027335,0.0001190931,0.000005383209,0.00002232864,0.00006366368,3.105363e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00002011011,"about_ca_system_score_gemma":0.00003235919,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0001126289,"about_ca_topic_score_gemma":0.0001016641,"domain_scores_codex":[0.9994413,0.00001371646,0.0001753563,0.0002052654,0.00006270684,0.0001016116],"domain_scores_gemma":[0.999712,0.000008272399,0.00007428212,0.0001324953,0.00002510988,0.00004782285],"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":[0.0002117031,0.00002577298,0.004498355,0.00001611539,0.00002005456,0.000001015958,0.0001157757,0.00001210828,0.9864331,0.00009500056,0.00001775377,0.008553213],"study_design_scores_gemma":[0.0004710114,0.00004299638,0.004442553,0.00001608129,0.0000120595,0.000005554081,0.001136072,0.02690235,0.9663014,0.0003102515,0.000250948,0.0001087049],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9971851,0.001151809,0.001065179,0.0000403116,0.00006211632,0.00006583279,0.00002065147,0.000005551125,0.0004034826],"genre_scores_gemma":[0.9992498,0.0001626801,0.00006406979,0.00001924341,0.00007814403,0.00000664296,0.0002939652,0.000009171296,0.0001163101],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.02689024,"threshold_uncertainty_score":0.3362424,"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."}}