{"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":"codex-gemma-dda1882f352a","candidate_categories":["metaepi_narrow"],"consensus_categories":[],"category_scores_codex":[0.0002878268,0.00041781,0.000724892,0.0004622688,0.0001480995,0.00006019362,0.00009276836,0.0002255507,0.00003892818],"category_scores_gemma":[0.0001537815,0.0003745087,0.0001412745,0.0005130401,0.0002313129,0.0004441156,0.00009248317,0.0002123539,0.000005589669],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001243756,"about_ca_system_score_gemma":0.000180332,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0001157667,"about_ca_topic_score_gemma":0.000001094377,"domain_scores_codex":[0.9978415,0.00004617048,0.0006860922,0.0004884036,0.0004870674,0.0004507847],"domain_scores_gemma":[0.9987189,0.00009381127,0.000328315,0.0003156276,0.0002640391,0.0002793348],"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":[0.0001189477,0.0002250301,0.2657089,0.0009567987,0.0003287687,0.00002308121,0.00401453,0.0001040436,0.7273855,0.000009581973,0.0001468153,0.0009780029],"study_design_scores_gemma":[0.002694139,0.0001937421,0.008003674,0.001241951,0.0002637831,0.00002181551,0.001358051,0.0008167433,0.984933,0.00004332839,0.0001100784,0.0003196828],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9972997,0.0004678908,0.000075752,0.0006301837,0.00002716294,0.00124266,0.00001886767,0.00007538908,0.0001623931],"genre_scores_gemma":[0.987577,0.00005255548,0.01130791,0.00001422654,0.0001505931,0.0001368729,0.00008078011,0.00006006897,0.0006199637],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.2577052,"threshold_uncertainty_score":0.9998707,"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."}}