{"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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00009787599,0.0003493866,0.0003515162,0.0001370907,0.0002235385,0.0002660374,0.0005765252,0.0002544561,0.001769262],"category_scores_gemma":[0.0001776459,0.0002231635,0.000235987,0.0003896776,0.0001636841,0.0001640355,0.0001208528,0.0006745948,0.000231208],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0005023279,"about_ca_system_score_gemma":0.0002490895,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.008420308,"about_ca_topic_score_gemma":0.005684559,"domain_scores_codex":[0.99989,0.00002274122,0.000006948697,0.00001931287,0.00003560351,0.00002535583],"domain_scores_gemma":[0.9999374,0.00001565644,0.00001380896,0.000003739243,0.00001681346,0.00001260648],"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":[0.000924057,0.0002197016,0.005230431,0.0004399796,0.0001418024,0.001102293,0.0003504861,0.0057655,0.9761427,0.0007097401,0.002299721,0.006673609],"study_design_scores_gemma":[0.000329741,0.0009491805,0.06358793,0.00006892841,0.0002304379,0.001808458,0.0008657189,0.04595931,0.8658946,0.0003075163,0.01991716,0.00008116556],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9947184,0.001777535,0.0007496142,0.0002764719,0.00001895877,0.00001004943,0.0006087516,0.00003714928,0.001802997],"genre_scores_gemma":[0.9900506,0.001645069,0.002949779,0.00008087324,0.00001019848,0.00001966967,0.003252921,0.00003552917,0.00195557],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.008420308,"threshold_uncertainty_score":0.01674259,"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."}}