{"id":"W2039377812","doi":"10.1073/pnas.0605224103","title":"Chemical screening methods to identify ligands that promote protein stability, protein crystallization, and structure determination","year":2006,"lang":"en","type":"article","venue":"Proceedings of the National Academy of Sciences","topic":"Enzyme Structure and Function","field":"Materials Science","cited_by":594,"is_retracted":false,"has_abstract":true,"ca_institutions":"Structural Genomics Consortium; University of Toronto","funders":"Knut och Alice Wallenbergs Stiftelse; Stiftelsen för Strategisk Forskning; Ontario Genomics Institute; Ontario Genomics; Genome Canada; Ontario Innovation Trust; Wellcome Trust; GlaxoSmithKline","keywords":"Small molecule; Crystallization; Protein crystallization; Human proteins; Drug discovery; Chemistry; Target protein; Biochemistry; Protein stability; Protein structure; Ligand (biochemistry); Computational biology; Kinase; Biology; Receptor","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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.002153845,0.001159046,0.00125255,0.001584501,0.0006163034,0.0006320481,0.0007010595,0.0006790643,0.00210435],"category_scores_gemma":[0.001712732,0.0004939121,0.0007526908,0.001026351,0.0007610483,0.0004616739,0.0005818274,0.0008510469,0.0009967639],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0006286959,"about_ca_system_score_gemma":0.0006260241,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0003922235,"about_ca_topic_score_gemma":0.00126651,"domain_scores_codex":[0.9983894,0.0004539496,0.0000963596,0.0002053459,0.0007493816,0.0001055752],"domain_scores_gemma":[0.9986907,0.000560648,0.000289624,0.0001294805,0.0002262551,0.0001033342],"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":[0.0001652199,0.0002840147,0.0006397815,0.0003146663,0.00005028289,0.00005561023,0.00003034713,0.0009225522,0.9740077,0.0005660803,0.0003507793,0.02261295],"study_design_scores_gemma":[0.00005586623,0.0009512007,0.0009350268,0.0000158847,0.00004212274,0.0002274124,0.00001619146,0.002215372,0.99139,0.0001630594,0.003966585,0.0000212357],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"methods","genre_scores_codex":[0.5418121,0.02338306,0.4127085,0.001285628,0.0003052602,0.003228979,0.002080524,0.001953548,0.01324238],"genre_scores_gemma":[0.652011,0.01387342,0.3203664,0.0008193665,0.0001404463,0.002502374,0.001708982,0.0001754844,0.008402605],"genre_candidate":"methods","genre_consensus":null,"teacher_disagreement_score":0.002153845,"threshold_uncertainty_score":0.01139075,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.03793137366724102,"score_gpt":0.3365636988311809,"score_spread":0.2986323251639399,"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."}}