{"id":"W2738345005","doi":"10.1002/pro.3224","title":"Effect of solvent and protein dynamics in ligand recognition and inhibition of aminoglycoside adenyltransferase 2″‐Ia","year":2017,"lang":"en","type":"article","venue":"Protein Science","topic":"Antibiotic Resistance in Bacteria","field":"Biochemistry, Genetics and Molecular Biology","cited_by":2,"is_retracted":false,"has_abstract":true,"ca_institutions":"McGill University","funders":"Canadian Institutes of Health Research","keywords":"Aminoglycoside; Kanamycin; Chemistry; In silico; Ligand (biochemistry); Biochemistry; Biophysics; Binding site; Antimicrobial; Active site; Enzyme; Antibiotics; Biology; Stereochemistry; Microbiology; Receptor; Gene","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":[0.0001233869,0.0002155752,0.0002508742,0.00006381745,0.0001177847,0.0002384085,0.00023417,0.0001581849,0.001020733],"category_scores_gemma":[0.0002171587,0.0001103302,0.000130177,0.00008365823,0.0001944081,0.0001878284,0.0001851708,0.0004442501,0.0002173408],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003217355,"about_ca_system_score_gemma":0.0002095612,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001197736,"about_ca_topic_score_gemma":0.001206023,"domain_scores_codex":[0.9998919,0.00002364289,0.000008670965,0.00002492488,0.0000259652,0.00002482152],"domain_scores_gemma":[0.9998839,0.00004320639,0.00002751684,0.000006401046,0.00001066569,0.00002840313],"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":[0.0004590661,0.00009274371,0.0001995678,0.00003653605,0.000009559299,0.00004428039,0.00003167545,0.0008888867,0.996292,0.0001098175,0.00006620141,0.001769852],"study_design_scores_gemma":[0.00003340393,0.0005869585,0.001132848,0.000004570657,0.000008041285,0.0000454935,0.00002338944,0.008465646,0.9887637,0.00004112537,0.0008845216,0.00001034459],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9980397,0.0004212315,0.000491071,0.00004446234,0.00001440513,0.000008816891,0.0000645858,0.00003071026,0.0008851197],"genre_scores_gemma":[0.9985833,0.0002652696,0.0005363338,0.000025717,0.00000460015,0.00001030865,0.00007413313,0.00001608587,0.0004843019],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001197736,"threshold_uncertainty_score":0.00341469,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.009613013184461278,"score_gpt":0.268121664617166,"score_spread":0.2585086514327047,"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."}}