{"id":"W2338762894","doi":"10.1093/database/baw007","title":"2P2Idb v2: update of a structural database dedicated to orthosteric modulation of protein–protein interactions","year":2016,"lang":"en","type":"article","venue":"Database","topic":"Protein Structure and Dynamics","field":"Biochemistry, Genetics and Molecular Biology","cited_by":80,"is_retracted":false,"has_abstract":true,"ca_institutions":"Canadian Nautical Research Society","funders":"Agence Nationale de la Recherche","keywords":"Protein Data Bank; Protein Data Bank (RCSB PDB); Database; Protein structure database; Protein–protein interaction; Planarity testing; Computer science; Protein structure; Protein ligand; Affinities; Interface (matter); Small molecule; Computational biology; Chemistry; Data mining; Information retrieval; Crystallography; Biology; Molecule; Stereochemistry; Biochemistry","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":[0.00424546,0.002726777,0.004851209,0.004258279,0.001048451,0.004018283,0.006240549,0.002135853,0.02009552],"category_scores_gemma":[0.005866092,0.002357207,0.001811075,0.005066618,0.0005233378,0.003308536,0.003811156,0.003745138,0.01925966],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001585346,"about_ca_system_score_gemma":0.005329808,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00598897,"about_ca_topic_score_gemma":0.008076391,"domain_scores_codex":[0.9978234,0.0003294637,0.0002875311,0.0003249388,0.0009955871,0.0002391629],"domain_scores_gemma":[0.9976676,0.0003508181,0.0002913095,0.0003990049,0.0007272788,0.0005639907],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"not_applicable","study_design_gemma":"not_applicable","study_design_scores_codex":[0.002311821,0.0003404108,0.002796149,0.005358501,0.0005783666,0.0006613878,0.0003557971,0.002925132,0.04666774,0.004135788,0.7584915,0.1753774],"study_design_scores_gemma":[0.0009137666,0.0002298876,0.004000787,0.0004361102,0.0003887538,0.00119349,0.00005467235,0.005971132,0.01238064,0.001634818,0.9726152,0.0001806782],"study_design_candidate":"not_applicable","study_design_consensus":"not_applicable","genre_codex":"dataset","genre_gemma":"dataset","genre_scores_codex":[0.04968633,0.04034989,0.07985158,0.003849883,0.003199773,0.001303806,0.7000322,0.09652525,0.02520139],"genre_scores_gemma":[0.01392989,0.009058772,0.04922811,0.0008469111,0.0002951769,0.0007086627,0.9139561,0.007091607,0.004884753],"genre_candidate":"dataset","genre_consensus":"dataset","teacher_disagreement_score":0.02009552,"threshold_uncertainty_score":0.06722623,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.009674534010869559,"score_gpt":0.2678753414436307,"score_spread":0.2582008074327611,"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."}}