{"id":"W4405630560","doi":"10.26434/chemrxiv-2024-1lm1h","title":"Rational Design of PROTAC Linkers Featuring Ferrocene as a Molecular Hinge to Enable Dynamic Conformational Changes","year":2024,"lang":"en","type":"preprint","venue":"ChemRxiv","topic":"Protein Degradation and Inhibitors","field":"Biochemistry, Genetics and Molecular Biology","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"Innovative Medicines Initiative; Università di Bologna; Vetenskapsrådet; Ministero dell’Istruzione, dell’Università e della Ricerca; Ono Pharmaceutical; UK Research and Innovation; Eisai; European Federation of Pharmaceutical Industries and Associations; Merck KGaA; McGill University; Amgen","keywords":"Linker; Ferrocene; Chemistry; Molecular machine; Bifunctional; Biophysics; Lipid-anchored protein; Allosteric regulation; Combinatorial chemistry; Nanotechnology; Materials science; Computer science; Biochemistry; Biology","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":[0.0001103543,0.0002140846,0.0001285811,0.0001059447,0.0000880139,0.0001592646,0.0001937066,0.0002017363,0.0005218257],"category_scores_gemma":[0.0001094501,0.0001073945,0.0001004841,0.0000986098,0.0001441921,0.000236359,0.000118742,0.0003421342,0.0002513928],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002921116,"about_ca_system_score_gemma":0.0002040581,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0002447186,"about_ca_topic_score_gemma":0.0007970511,"domain_scores_codex":[0.999956,0.000005360528,0.000003601666,0.00001241257,0.00001057851,0.00001204912],"domain_scores_gemma":[0.9999546,0.000006901383,0.00002026318,0.000003563548,0.000006082357,0.000008581786],"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":[0.000116966,0.00004711944,0.0001661654,0.0001223713,0.000008038724,0.0001062758,0.00003098789,0.002088732,0.9902688,0.0009391918,0.00009668264,0.006008569],"study_design_scores_gemma":[0.00004025213,0.000497852,0.0004470872,0.00001078273,0.000009554784,0.0001583022,0.00002353436,0.003424618,0.9887544,0.0001226873,0.006501204,0.000009871811],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9836851,0.001555951,0.01133675,0.0001288234,0.00001964794,0.00007974546,0.0001782688,0.0001056931,0.002909866],"genre_scores_gemma":[0.9849094,0.0009797449,0.01238619,0.00006067253,0.000003724911,0.00003770798,0.0001675064,0.00002118141,0.001433798],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0005218257,"threshold_uncertainty_score":0.002119422,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01469732189427011,"score_gpt":0.2657923673948725,"score_spread":0.2510950455006024,"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."}}