{"id":"W2096147608","doi":"10.1021/mp049959+","title":"Structure and Specificity of a Human Valacyclovir Activating Enzyme:  A Homology Model of BPHL","year":2004,"lang":"en","type":"article","venue":"Molecular Pharmaceutics","topic":"HIV/AIDS drug development and treatment","field":"Medicine","cited_by":18,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"National Institute of General Medical Sciences","keywords":"Active site; Hydrolase; Prodrug; Chemistry; Stereochemistry; Docking (animal); Catalytic triad; Homology modeling; Nucleoside; Serine; Serine hydrolase; Histidine; Molecular model; Enzyme; Amino acid; Binding site; Biochemistry","routes":{"ca_aff":false,"ca_fund":false,"ca_venue":false,"about_ca":true,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00007413734,0.0001621944,0.0003344374,0.0001134479,0.00004293798,0.00000369593,0.00006074725,0.00008566567,0.00002659053],"category_scores_gemma":[0.00002083058,0.0001466361,0.00006691473,0.0001388463,0.0001243416,0.000028405,0.00006293555,0.0001794535,7.983725e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00006294242,"about_ca_system_score_gemma":0.0001082204,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000009765326,"about_ca_topic_score_gemma":0.000002400956,"domain_scores_codex":[0.9990882,0.00002758691,0.000283756,0.0001995857,0.0002143008,0.0001865868],"domain_scores_gemma":[0.9995162,0.00001498207,0.0001096789,0.0001803123,0.00008046781,0.00009835367],"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":[0.00007301453,0.0002426251,0.004062337,0.0001832928,0.0002463749,0.0000869697,0.001294052,0.002033989,0.9889423,0.00125212,0.00001323153,0.001569715],"study_design_scores_gemma":[0.003142462,0.00008178014,0.0004799638,0.00006423227,0.0001947844,0.00004671876,0.00006352033,0.002455236,0.9920354,0.001232876,0.00008953757,0.0001135284],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9954089,0.0004379245,0.00273947,0.000432347,0.0000219329,0.0002843895,0.00001810654,0.00001925043,0.0006377165],"genre_scores_gemma":[0.9879204,0.00006031693,0.01165015,0.0001255231,0.00001516129,0.000003892154,0.0000226483,0.00002221824,0.0001796717],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.008910677,"threshold_uncertainty_score":0.5979648,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.03329270910812323,"score_gpt":0.3262130551928278,"score_spread":0.2929203460847046,"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."}}