{"id":"W2039285600","doi":"10.1002/cmdc.201200580","title":"Monitoring Binding of HIV‐1 Capsid Assembly Inhibitors Using <sup>19</sup>F Ligand‐and <sup>15</sup>N Protein‐Based NMR and X‐ray Crystallography: Early Hit Validation of a Benzodiazepine Series","year":2013,"lang":"en","type":"article","venue":"ChemMedChem","topic":"HIV/AIDS drug development and treatment","field":"Medicine","cited_by":15,"is_retracted":false,"has_abstract":true,"ca_institutions":"Université de Montréal; Boehringer Ingelheim (Canada)","funders":"University of Utah","keywords":"Capsid; Ligand (biochemistry); Human immunodeficiency virus (HIV); Crystallography; Chemistry; Stereochemistry; Virology; Biology; Biochemistry; Receptor","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":[0.0003334018,0.0003308774,0.0003184923,0.000138303,0.0002250457,0.0002175351,0.0003368825,0.000270191,0.0005067651],"category_scores_gemma":[0.0004095946,0.0001711415,0.0001132241,0.0001962987,0.0002518458,0.000214014,0.0002119502,0.0003139802,0.0001242141],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004687923,"about_ca_system_score_gemma":0.0004147407,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.003184055,"about_ca_topic_score_gemma":0.00442528,"domain_scores_codex":[0.9997712,0.00006385738,0.00001437421,0.00003747339,0.00007711674,0.00003597827],"domain_scores_gemma":[0.9998375,0.0000515284,0.00004073124,0.00001505268,0.00003110607,0.00002401583],"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":[0.0003112604,0.00006142499,0.0007942078,0.0000515953,0.00001068271,0.00004396604,0.00004958745,0.001187671,0.9929772,0.00008015998,0.0001145183,0.0043176],"study_design_scores_gemma":[0.00002587327,0.0004727752,0.001924017,0.000003210868,0.00001060183,0.0000971991,0.0000180651,0.004001956,0.9922894,0.00001795316,0.001127548,0.0000113983],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9904626,0.001909451,0.005585772,0.00007666857,0.00001232055,0.00008184085,0.0004085036,0.0001033784,0.00135948],"genre_scores_gemma":[0.9812396,0.001799539,0.01517115,0.00007834426,0.000007823998,0.00007600935,0.0006580129,0.00002373897,0.0009458074],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.003184055,"threshold_uncertainty_score":0.006331027,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01990205283640837,"score_gpt":0.2441278975939483,"score_spread":0.22422584475754,"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."}}