{"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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00007613591,0.0001037292,0.0001842188,0.000003019293,0.0001711396,0.0000124317,0.0001950043,0.00002164025,0.0001706331],"category_scores_gemma":[0.000006285948,0.00004720249,0.000117946,0.00003887964,0.0002334118,0.00006077259,0.00005869799,0.0002767108,0.00001621344],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00002477897,"about_ca_system_score_gemma":0.00001432513,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000007277589,"about_ca_topic_score_gemma":7.507144e-8,"domain_scores_codex":[0.9994556,0.00002053284,0.0001790012,0.00006241858,0.0001287961,0.0001535936],"domain_scores_gemma":[0.9996305,0.00008267356,0.0001000575,0.00008615195,0.00005554153,0.00004514244],"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":[0.00008150987,0.0001876481,0.001065411,0.000004816912,0.00008619967,0.00000226093,0.0008043519,0.0001297793,0.9967455,0.0002281863,0.0003932054,0.0002710817],"study_design_scores_gemma":[0.0001866796,0.00007377721,0.000176432,0.000008893131,0.00002542493,0.00001405008,0.0002529215,0.001728453,0.9926388,0.004556016,0.0002602958,0.00007823645],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9966111,0.00002691078,0.0005155162,0.0004168167,0.00002523022,0.00002114269,0.000004367435,0.000006256985,0.002372708],"genre_scores_gemma":[0.999135,0.000006119783,0.00002811528,0.00001614752,0.0007077531,8.880714e-7,0.000005777572,0.000005079669,0.00009518286],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.004327829,"threshold_uncertainty_score":0.1924862,"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."}}