{"id":"W2055290574","doi":"10.1063/1.3537734","title":"Hydrophobicity within the three-dimensional Mercedes-Benz model: Potential of mean force","year":2011,"lang":"en","type":"article","venue":"The Journal of Chemical Physics","topic":"Phase Equilibria and Thermodynamics","field":"Engineering","cited_by":60,"is_retracted":false,"has_abstract":true,"ca_institutions":"Western University; University of Toronto","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Thermodynamics; Monte Carlo method; Heat capacity; Enthalpy; Entropy (arrow of time); Statistical physics; Chemistry; Potential of mean force; Hydrophobic effect; Interaction energy; Molecular dynamics; Physics; Molecule; Computational chemistry","routes":{"ca_aff":true,"ca_fund":true,"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":[0.0002763208,0.0001407486,0.0002330681,0.00001150875,0.0000329179,0.000005490782,0.0004565383,0.00005501042,0.00001197451],"category_scores_gemma":[0.00001128682,0.00007802398,0.0001751571,0.00009437847,0.0001464245,0.000131426,0.00006192285,0.0004052762,0.000002291705],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00003129112,"about_ca_system_score_gemma":0.00003411447,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000008420609,"about_ca_topic_score_gemma":0.000001286972,"domain_scores_codex":[0.9990764,0.00002636562,0.0003660807,0.00005306048,0.000322644,0.000155415],"domain_scores_gemma":[0.9993324,0.00006379229,0.0001954309,0.0002348061,0.0001105302,0.00006304954],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.0001272817,0.0000457914,0.000002193443,0.00001086601,0.0001147516,0.00000196472,0.0004687131,0.2154082,0.7824522,0.001152461,0.00007808099,0.0001374412],"study_design_scores_gemma":[0.0002050061,0.00002373348,0.000006847581,0.00001898516,0.00008795171,0.0000304404,0.00001177422,0.5660693,0.347876,0.08560679,4.513694e-7,0.00006280103],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9749116,0.00009100232,0.02392163,0.0000259132,0.0001556467,0.00005610629,0.000006590672,0.00001916968,0.0008123199],"genre_scores_gemma":[0.9991364,0.000006517983,0.0005861155,0.00004457163,0.0001898721,4.448084e-7,0.000001035715,0.0000293961,0.000005602612],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.4345763,"threshold_uncertainty_score":0.3181725,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01620581666469615,"score_gpt":0.2044198988301797,"score_spread":0.1882140821654835,"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."}}