{"id":"W2005137352","doi":"10.1021/bp010050n","title":"Comparison of Energy-Minimized Structures of [PdII(N-methyliminodiacetate)] Complexes of X1-His-X3-His-His Peptides as an Analysis of Steric and Specific Interactions with Synthetic Binding Tags for IMAC Separations","year":2001,"lang":"en","type":"article","venue":"Biotechnology Progress","topic":"Chemical Synthesis and Analysis","field":"Biochemistry, Genetics and Molecular Biology","cited_by":4,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"University of Pittsburgh; Ryerson University","keywords":"Chemistry; Peptide; Phenylalanine; Amine gas treating; Steric effects; Stereochemistry; Tyrosine; Amino acid; Crystallography; Glycine; Stacking; Organic chemistry; Biochemistry","routes":{"ca_aff":false,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00010961,0.0002015142,0.0008571883,0.0004673025,0.00006686489,0.00001001044,0.0002546566,0.000254808,0.0000369249],"category_scores_gemma":[0.00005544447,0.0001668311,0.000242759,0.0006130065,0.0008924638,0.00001016422,0.00008997523,0.00007257587,1.080269e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00001182267,"about_ca_system_score_gemma":0.00002500716,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00006299053,"about_ca_topic_score_gemma":0.0001594531,"domain_scores_codex":[0.9986023,0.00005784502,0.0006127423,0.0004023025,0.0001315215,0.000193298],"domain_scores_gemma":[0.9985113,0.00008396859,0.0006974845,0.0004601809,0.0001969298,0.00005014274],"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":[0.0004136701,0.0003375738,0.02373759,0.00005800672,0.001363636,4.935567e-7,0.00008755966,0.00009317738,0.9654889,0.0006437963,0.00001847331,0.007757115],"study_design_scores_gemma":[0.000450336,0.0005817208,0.002704212,0.00003826187,0.001159618,0.000006909045,0.0007725508,0.001172909,0.9918097,0.0000812535,0.001054591,0.0001678897],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9953269,0.001563147,0.002606494,0.0001062725,0.00001720093,0.000158966,0.0001728575,0.00001342105,0.00003473043],"genre_scores_gemma":[0.9902333,0.0003782217,0.009068383,0.000003978902,0.00001353887,0.00003209111,0.0002243564,0.00001652879,0.00002961135],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.02632084,"threshold_uncertainty_score":0.6803175,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02293686683028872,"score_gpt":0.3225334887621539,"score_spread":0.2995966219318652,"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."}}