{"id":"W2115485185","doi":"10.1002/prot.21850","title":"Binding of sulfonium‐ion analogues of di‐<i>epi</i>‐swainsonine and 8‐<i>epi</i>‐lentiginosine to <i>Drosophila</i> Golgi α‐mannosidase II: The role of water in inhibitor binding","year":2007,"lang":"en","type":"article","venue":"Proteins Structure Function and Bioinformatics","topic":"Carbohydrate Chemistry and Synthesis","field":"Chemistry","cited_by":17,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Toronto; Ontario Institute for Cancer Research; Simon Fraser University","funders":"National Center for Research Resources","keywords":"Sulfonium; Swainsonine; Chemistry; Stereochemistry; Molecule; Hydrolase; Binding site; Mannosidase; Steric effects; Active site; Golgi apparatus; Anomer; Glycoside hydrolase; Enzyme; Salt (chemistry); Endoplasmic reticulum; 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":[0.0003671311,0.0002577696,0.0004108747,0.0002180094,0.0001422803,0.00003013767,0.0001398458,0.0002014682,0.00003609494],"category_scores_gemma":[0.00008602483,0.0001691365,0.00007887119,0.0003551311,0.0001830714,0.000207938,0.0001752833,0.0002358134,6.724838e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00003861493,"about_ca_system_score_gemma":0.00002125968,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00005202536,"about_ca_topic_score_gemma":0.00003396668,"domain_scores_codex":[0.9983132,0.00001439544,0.0008791093,0.0001869308,0.0003009203,0.0003053683],"domain_scores_gemma":[0.9990543,0.0000749251,0.0003667896,0.0002859101,0.0001162869,0.0001018175],"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":[0.0002645014,0.00005092524,0.006591025,0.001011618,0.00004203461,8.426229e-7,0.001785214,0.00002383054,0.9858384,0.0001124619,0.00001365201,0.004265482],"study_design_scores_gemma":[0.0006297666,0.000115859,0.0007934839,0.0003276217,0.00005815128,0.00001456506,0.001765258,0.0003449451,0.9948172,0.0002048144,0.0007350635,0.000193292],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9982161,0.0002092506,0.0001087251,0.0001283968,0.00006795233,0.000274359,0.0001854406,0.00002200304,0.0007877945],"genre_scores_gemma":[0.9989607,0.00006168855,0.0006862427,0.0000332126,0.0000940569,0.000008571617,0.00008647961,0.00001512267,0.00005386676],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.008978767,"threshold_uncertainty_score":0.6897187,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.005669089853732719,"score_gpt":0.1928009934718853,"score_spread":0.1871319036181526,"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."}}