{"id":"W1975503494","doi":"10.1073/pnas.1101835108","title":"Structural conservation of druggable hot spots in protein–protein interfaces","year":2011,"lang":"en","type":"article","venue":"Proceedings of the National Academy of Sciences","topic":"Protein Structure and Dynamics","field":"Biochemistry, Genetics and Molecular Biology","cited_by":246,"is_retracted":false,"has_abstract":true,"ca_institutions":"McGill University","funders":"National Institute of Environmental Health Sciences; National Institute of General Medical Sciences","keywords":"Druggability; Small molecule; Ligand (biochemistry); Chemistry; Drug discovery; Protein–protein interaction; Computational biology; Stereochemistry; Biology; 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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0004811805,0.00007615754,0.0001116207,0.00008059679,0.00004487804,0.000005351682,0.000498634,0.00009709159,0.000008005307],"category_scores_gemma":[0.0002326315,0.00005296532,0.00003881514,0.0002880405,0.0005457465,0.00003078491,0.0001273743,0.00008078205,1.291394e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000008608421,"about_ca_system_score_gemma":0.00003804436,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00004372341,"about_ca_topic_score_gemma":0.00000111393,"domain_scores_codex":[0.9990827,0.000006429892,0.0002764165,0.000175656,0.0003549301,0.0001038502],"domain_scores_gemma":[0.9994078,0.000005808404,0.0003682681,0.00001085618,0.0001923725,0.00001491812],"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":[0.00006201438,0.00001143546,0.008110139,0.00005129962,0.000006786608,2.472549e-9,0.0001051272,0.00001403844,0.9793507,0.01207897,0.00002178811,0.0001876766],"study_design_scores_gemma":[0.0001343178,0.00007157323,0.06495369,0.00006719178,0.000002446249,0.000002000979,0.00008912507,0.0002376527,0.9006686,0.03369968,0.00001866643,0.00005509661],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.997156,0.0001019828,0.000002148555,0.0001918468,0.000008680039,0.0002597966,0.00001067252,0.000002099511,0.002266794],"genre_scores_gemma":[0.9964293,0.00000479236,0.003373326,0.00005557961,0.00002060338,0.0000115689,3.898957e-7,0.000002887073,0.0001015265],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.07868217,"threshold_uncertainty_score":0.2159863,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.03169015761259487,"score_gpt":0.2727057015480633,"score_spread":0.2410155439354685,"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."}}