{"id":"W4409325498","doi":"10.1021/jacs.4c18354","title":"Rational Design of PROTAC Linkers Featuring Ferrocene as a Molecular Hinge to Enable Dynamic Conformational Changes","year":2025,"lang":"en","type":"article","venue":"Journal of the American Chemical Society","topic":"Protein Degradation and Inhibitors","field":"Biochemistry, Genetics and Molecular Biology","cited_by":19,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"H2020 Marie Skłodowska-Curie Actions; Vetenskapsrådet; Kungliga Tekniska Högskolan; Engineering and Physical Sciences Research Council; Ministero dell’Istruzione, dell’Università e della Ricerca; Innovative Health Initiative; European Federation of Pharmaceutical Industries and Associations; Stiftelsen för Strategisk Forskning; Diamond Light Source; McGill University","keywords":"Chemistry; Hinge; Ferrocene; Conformational change; Computational chemistry; Rational design; Combinatorial chemistry; Stereochemistry; Nanotechnology; Structural engineering; Physical chemistry","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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001252814,0.0002215492,0.0001280779,0.0001105738,0.00009037816,0.000162909,0.0002037389,0.0002060756,0.0005245421],"category_scores_gemma":[0.0001194,0.0001237802,0.0001055717,0.00009732483,0.000150153,0.0002276729,0.0001207343,0.0003261586,0.0002455003],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003252224,"about_ca_system_score_gemma":0.0002296183,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0002907568,"about_ca_topic_score_gemma":0.0009466156,"domain_scores_codex":[0.9999505,0.000005864023,0.000004206492,0.00001355456,0.00001233776,0.00001352513],"domain_scores_gemma":[0.9999524,0.000007035847,0.00002045048,0.000003941472,0.000006770265,0.000009263419],"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":[0.0001324066,0.00005336553,0.0001716671,0.0001179482,0.00000810774,0.0001077218,0.00003271285,0.002272275,0.9905021,0.0009472497,0.0001012084,0.00555324],"study_design_scores_gemma":[0.00005040928,0.0005662125,0.0004544691,0.00001128596,0.000009914869,0.0001533211,0.00002685458,0.004128833,0.9879651,0.000114803,0.006508159,0.00001065211],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.986336,0.001118064,0.009292688,0.0001231945,0.00001753273,0.00008234246,0.0001674268,0.00009272078,0.002769902],"genre_scores_gemma":[0.9860074,0.0008127756,0.01154174,0.0000542418,0.000003544973,0.00004125507,0.0001533682,0.00002222373,0.001363431],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0005245421,"threshold_uncertainty_score":0.002359629,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.006537503600233247,"score_gpt":0.2588204497389567,"score_spread":0.2522829461387234,"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."}}