{"id":"W1976225079","doi":"10.1007/s10822-015-9842-7","title":"Computational and biophysical approaches to protein–protein interaction inhibition of Plasmodium falciparum AMA1/RON2 complex","year":2015,"lang":"en","type":"article","venue":"Journal of Computer-Aided Molecular Design","topic":"Toxin Mechanisms and Immunotoxins","field":"Immunology and Microbiology","cited_by":18,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Victoria","funders":"Canadian Institutes of Health Research; Centre National de la Recherche Scientifique; Consejo Nacional de Ciencia y Tecnología; Institut National de la Santé et de la Recherche Médicale; Agence Nationale de la Recherche","keywords":"Plasmodium falciparum; Protein–protein interaction; Computational biology; Chemistry; Biology; Malaria; Cell biology; Immunology","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":[0.000830284,0.0007687785,0.001359527,0.001122135,0.0009664716,0.001209041,0.001616767,0.001353165,0.002123391],"category_scores_gemma":[0.001737616,0.0007607616,0.0009538084,0.0007797015,0.0006077871,0.0005738654,0.0007188219,0.0009016057,0.0002269678],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001412177,"about_ca_system_score_gemma":0.002425582,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.01074217,"about_ca_topic_score_gemma":0.01023606,"domain_scores_codex":[0.9997811,0.00009784584,0.00001145318,0.00002368513,0.00004849493,0.00003750687],"domain_scores_gemma":[0.9992373,0.0005494413,0.00005025457,0.00002968763,0.00008661807,0.00004674798],"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":[0.00007047067,0.00007958103,0.0006479121,0.0000617123,0.00004651053,0.00005701047,0.00001875452,0.9931669,0.0007910852,0.002515878,0.0001793241,0.002364849],"study_design_scores_gemma":[0.00002159083,0.00001642171,0.00006765998,0.000002030565,0.000005934337,0.000003226929,0.00000783307,0.9991369,0.0001489919,0.0004643456,0.000122949,0.000002082886],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.8798997,0.001899049,0.09620021,0.001665111,0.0001291799,0.0002601297,0.001007174,0.0009146463,0.01802478],"genre_scores_gemma":[0.9430581,0.0007776104,0.05286419,0.0002189992,0.0000545901,0.0005312574,0.0007702775,0.00008148653,0.001643476],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01074217,"threshold_uncertainty_score":0.02135932,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.0827311136698827,"score_gpt":0.2526127920964358,"score_spread":0.1698816784265531,"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."}}