{"id":"W2136939272","doi":"10.1107/s1399004714017660","title":"Insights into the binding of PARP inhibitors to the catalytic domain of human tankyrase-2","year":2014,"lang":"en","type":"article","venue":"Acta Crystallographica Section D Biological Crystallography","topic":"PARP inhibition in cancer therapy","field":"Medicine","cited_by":33,"is_retracted":false,"has_abstract":true,"ca_institutions":"St. Michael's Hospital; University of Toronto; Princess Margaret Cancer Centre; University Health Network","funders":"Basic Energy Sciences; Office of Science; Terry Fox Research Institute; University of Toronto; Canadian Institutes of Health Research; Industrial Macromolecular Crystallography Association Collaborative Access Team; Ontario Institute for Cancer Research; U.S. Department of Energy","keywords":"Poly ADP ribose polymerase; PARP1; Polymerase; Cancer research; PARP inhibitor; Chemistry; Computational biology; Rational design; Biology; Cell biology; DNA; Biochemistry; Genetics","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":["metaepi_narrow"],"consensus_categories":[],"category_scores_codex":[0.001145919,0.0004643318,0.0008029482,0.001027329,0.0005945259,0.00003760747,0.0006340513,0.0004269728,0.00009522301],"category_scores_gemma":[0.0002101265,0.0002465293,0.0008534015,0.003477419,0.001789657,0.0001121298,0.0001922773,0.0006518298,0.000001142785],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00006101505,"about_ca_system_score_gemma":0.00005046909,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0002237555,"about_ca_topic_score_gemma":0.0002538917,"domain_scores_codex":[0.9963087,0.0006059046,0.001166357,0.0007198082,0.0006931851,0.0005060756],"domain_scores_gemma":[0.9970567,0.0005869212,0.0006393885,0.001079788,0.0003666481,0.0002705319],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"not_applicable","study_design_scores_codex":[0.0003626544,0.0003331779,0.02387354,0.00007462184,0.0003033253,0.000003087775,0.001211309,0.00001777729,0.9706438,0.00147501,0.001200068,0.0005016025],"study_design_scores_gemma":[0.00661518,0.01534591,0.2775375,0.0008296245,0.0005914834,0.0001436603,0.006776349,0.00005572103,0.04612368,0.03294162,0.6113688,0.001670445],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9918377,0.0003457874,0.0010404,0.003371338,0.0003965421,0.001312989,0.00001993642,0.0001591087,0.001516129],"genre_scores_gemma":[0.9975489,0.0002033409,0.0003703569,0.001072576,0.0004282896,0.0002304801,0.0000888123,0.00004007712,0.0000171768],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.9245201,"threshold_uncertainty_score":0.9999987,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01997997536159033,"score_gpt":0.2698544321719958,"score_spread":0.2498744568104055,"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."}}