{"id":"W2056950890","doi":"10.1002/iub.327","title":"X‐ray crystallographic analysis of the complexes of enoyl acyl carrier protein reductase of <i>Plasmodium falciparum</i> with triclosan variants to elucidate the importance of different functional groups in enzyme inhibition","year":2010,"lang":"en","type":"article","venue":"IUBMB Life","topic":"Antimicrobial agents and applications","field":"Chemistry","cited_by":22,"is_retracted":false,"has_abstract":true,"ca_institutions":"Tellabs (Canada)","funders":"Department of Science and Technology, Ministry of Science and Technology, India; Department of Biotechnology, Ministry of Science and Technology, India","keywords":"Triclosan; Chemistry; Reductase; Enzyme; Hydrogen bond; Stereochemistry; Molecule; Biochemistry; Organic chemistry","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":[0.0001627142,0.0001503173,0.0003896381,0.0001331709,0.00006271283,0.000007246597,0.0002704438,0.00007798328,0.0002609402],"category_scores_gemma":[0.00004817053,0.00008798165,0.0001719632,0.00106636,0.0002955815,0.00004624269,0.00008845181,0.0001926559,2.04359e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00001107531,"about_ca_system_score_gemma":0.00007158684,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0002600532,"about_ca_topic_score_gemma":0.0008015997,"domain_scores_codex":[0.9986575,0.00003652681,0.0006068784,0.0002399719,0.0003005808,0.000158529],"domain_scores_gemma":[0.9985865,0.00005335071,0.0005731775,0.0005780639,0.0001465594,0.00006231926],"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":[0.0001438738,0.0003585659,0.04170699,0.00006747996,0.0002565122,3.328096e-7,0.0002842008,0.0004102481,0.9550085,0.00158408,0.0001624456,0.00001677007],"study_design_scores_gemma":[0.000546917,0.0000335361,0.1850315,0.00007075485,0.0003313395,0.000001219293,0.0002261399,0.0001277569,0.8132116,0.0001866795,0.0001148705,0.0001177307],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9978689,0.00001337651,0.0002363766,0.0004988348,0.00002199946,0.000325943,0.0008938584,0.000006716932,0.0001339695],"genre_scores_gemma":[0.9995336,0.000003258313,0.0001280713,0.00006728618,0.00003258927,0.00007391912,0.0001080031,0.00001225141,0.0000410491],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.1433245,"threshold_uncertainty_score":0.3587787,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01146827293198291,"score_gpt":0.2194788638597586,"score_spread":0.2080105909277757,"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."}}