{"id":"W3186179742","doi":"10.1126/science.abj8754","title":"Accurate prediction of protein structures and interactions using a three-track neural network","year":2021,"lang":"en","type":"article","venue":"Science","topic":"Protein Structure and Dynamics","field":"Biochemistry, Genetics and Molecular Biology","cited_by":5701,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of British Columbia; University of Victoria","funders":"National Institute of Allergy and Infectious Diseases; National Science Foundation of Sri Lanka; Deutsches Elektronen-Synchrotron; Science and Technology Facilities Council; National Institutes of Health; Austrian Science Fund; European Synchrotron Radiation Facility; Wellcome Trust; Microsoft; Schmidt Family Foundation; Canadian Institutes of Health Research; National Science Foundation; Open Philanthropy Project; National Institute of General Medical Sciences; Diamond Light Source; G. Harold and Leila Y. Mathers Foundation; TU Graz, Internationale Beziehungen und Mobilitätsprogramme; Global Challenges Research Fund; Washington Research Foundation; Welch Foundation","keywords":"CASP; Protein structure prediction; Artificial neural network; Computer science; Folding (DSP implementation); Artificial intelligence; Sequence (biology); Protein folding; Deep learning; Protein structure; Computational biology; Machine learning; Chemistry; Biology; Engineering; Biochemistry","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":[0.0008538723,0.0007012312,0.0006389311,0.0004895817,0.0004469474,0.0009374655,0.001317423,0.001235673,0.001188071],"category_scores_gemma":[0.001572044,0.0005130635,0.0006688091,0.0005706069,0.0005534991,0.001351445,0.0009398665,0.00159363,0.000410724],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001550982,"about_ca_system_score_gemma":0.001265086,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.01765859,"about_ca_topic_score_gemma":0.01813682,"domain_scores_codex":[0.9997833,0.0000440566,0.0000103132,0.00007489508,0.00005619786,0.00003115081],"domain_scores_gemma":[0.9994923,0.0002499814,0.00004809475,0.00006059036,0.0001084149,0.00004061293],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.0001567525,0.00007948743,0.001541773,0.00003112642,0.00006649567,0.0000703422,0.00002308519,0.9285502,0.005161278,0.006562759,0.001971416,0.05578528],"study_design_scores_gemma":[0.00000223123,0.000006017206,0.00005114533,7.326362e-7,0.000001594731,0.000002619756,8.56327e-7,0.9986896,0.0003218387,0.0008407863,0.00008113807,0.000001365063],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"methods","genre_gemma":"empirical","genre_scores_codex":[0.12486,0.0007465246,0.8671313,0.001104426,0.0001060386,0.00004441917,0.0005085406,0.002266746,0.003232063],"genre_scores_gemma":[0.7851906,0.000549957,0.2073464,0.0003300628,0.0000547634,0.0001073632,0.00122311,0.0001028914,0.005094767],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.01765859,"threshold_uncertainty_score":0.03511161,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01612847941770894,"score_gpt":0.2819759915224703,"score_spread":0.2658475121047613,"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."}}