{"id":"W1966655925","doi":"10.1021/jp806183v","title":"Hydration Water Dynamics Near Biological Interfaces","year":2008,"lang":"en","type":"article","venue":"The Journal of Physical Chemistry B","topic":"Spectroscopy and Quantum Chemical Studies","field":"Physics and Astronomy","cited_by":63,"is_retracted":false,"has_abstract":true,"ca_institutions":"Royal Military College of Canada","funders":"NIST Center for Neutron Research; National Institute of Standards and Technology; National Energy Research Scientific Computing Center; U.S. Department of Energy","keywords":"Molecular dynamics; Amphiphile; Chemical physics; Polarizability; Chemistry; Peptide; Solvation; Arrhenius equation; Polar; Crystallography; Computational chemistry; Molecule; Physical chemistry; Physics; Organic chemistry; Polymer","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":[0.000158547,0.0002547709,0.0003358999,0.0002707661,0.0004215906,0.0003854272,0.0004520971,0.0003502399,0.0007110738],"category_scores_gemma":[0.0007003577,0.0001886346,0.0002406424,0.0001732492,0.0007845624,0.0008025178,0.0003868848,0.0005815632,0.00008863911],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000562911,"about_ca_system_score_gemma":0.0005529773,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.004424646,"about_ca_topic_score_gemma":0.002139521,"domain_scores_codex":[0.9999281,0.000008820929,0.000002778499,0.00001762747,0.00001686806,0.00002573963],"domain_scores_gemma":[0.9998394,0.0000488566,0.00002539082,0.00001444871,0.00003027261,0.00004152524],"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":[0.0003682423,0.0002127673,0.007525476,0.0001089532,0.00008510362,0.0005292963,0.0006665119,0.4526378,0.5240779,0.008293757,0.0002192853,0.005274965],"study_design_scores_gemma":[0.00007133033,0.0001691245,0.003757128,0.000008631961,0.00002387426,0.00005160329,0.0001264837,0.9354279,0.0571501,0.00273962,0.000437975,0.00003627612],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9962497,0.0000447961,0.003132975,0.00003770904,0.000003840787,0.000007925893,0.00002963717,0.00002753766,0.0004659288],"genre_scores_gemma":[0.9980962,0.00006608446,0.001493854,0.00002011301,0.000002125214,0.0000118653,0.00007872686,0.00001652088,0.0002145091],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.004424646,"threshold_uncertainty_score":0.008797765,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01299869999239393,"score_gpt":0.2419726956850305,"score_spread":0.2289739956926366,"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."}}