{"id":"W2093350337","doi":"10.1016/j.jmgm.2015.01.015","title":"Human PD-1 binds differently to its human ligands: A comprehensive modeling study","year":2015,"lang":"en","type":"article","venue":"Journal of Molecular Graphics and Modelling","topic":"Computational Drug Discovery Methods","field":"Computer Science","cited_by":48,"is_retracted":false,"has_abstract":false,"ca_institutions":"University of Alberta","funders":"Western Canada Research Grid; Compute Canada","keywords":"Chemistry; Computational biology; Biology","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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002633171,0.0006322137,0.000735289,0.0002711327,0.0003592505,0.0005868739,0.0006632326,0.0005161188,0.001393315],"category_scores_gemma":[0.0003236188,0.0003302141,0.0007772645,0.0004754533,0.0001947281,0.0004614508,0.0002466612,0.0004973533,0.000293398],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0006305519,"about_ca_system_score_gemma":0.0007190367,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.009738496,"about_ca_topic_score_gemma":0.008257036,"domain_scores_codex":[0.999848,0.00003520255,0.000005641207,0.00003496339,0.00004803425,0.00002813004],"domain_scores_gemma":[0.9999324,0.00002877471,0.00001249881,0.000007291605,0.00001063973,0.000008408425],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.001703077,0.0007217043,0.02776356,0.0005294543,0.0008403297,0.001472548,0.0004678932,0.7868046,0.1168407,0.005627316,0.004322683,0.05290593],"study_design_scores_gemma":[0.0002128122,0.0004765103,0.009284374,0.0000348119,0.0005311521,0.0009641399,0.0002228145,0.9560781,0.02262145,0.002054155,0.007465567,0.00005415669],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9814566,0.003163336,0.01052698,0.000227957,0.000009320621,0.00003073707,0.0007356909,0.0002152139,0.003634126],"genre_scores_gemma":[0.9923252,0.001731474,0.003972047,0.00006344487,0.000003784073,0.00002546252,0.0009348869,0.00003847708,0.0009051958],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.009738496,"threshold_uncertainty_score":0.01936364,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.119128956230845,"score_gpt":0.3498236194199109,"score_spread":0.2306946631890658,"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."}}