{"id":"W2140340353","doi":"10.1002/prot.20127","title":"Complex folding pathways in a simple β‐hairpin","year":2004,"lang":"en","type":"article","venue":"Proteins Structure Function and Bioinformatics","topic":"Protein Structure and Dynamics","field":"Biochemistry, Genetics and Molecular Biology","cited_by":88,"is_retracted":false,"has_abstract":true,"ca_institutions":"Université de Montréal; Regroupement Québécois sur les Matériaux de Pointe","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Protein folding; Downhill folding; Reptation; Molecular dynamics; Folding (DSP implementation); Lattice protein; Hydrogen bond; Chemical physics; Chemistry; Statistical physics; Molecular biophysics; Computational chemistry; Physics; Biological system; Phi value analysis; Molecule; Biology; Quantum mechanics","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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00008669555,0.000206272,0.0001665692,0.00009872967,0.0001253348,0.00005656876,0.0001044014,0.0002106433,0.00002161145],"category_scores_gemma":[0.0000474345,0.0001745383,0.00004886213,0.0001588174,0.00006783803,0.00002010118,0.0001047266,0.00015727,0.00000281232],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00003141115,"about_ca_system_score_gemma":0.00006787168,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00003223683,"about_ca_topic_score_gemma":0.0002405408,"domain_scores_codex":[0.9990601,0.00001525439,0.0003150704,0.0001995095,0.0001417073,0.0002683838],"domain_scores_gemma":[0.9995166,0.0000032495,0.0001134319,0.0002344071,0.00004588237,0.00008643432],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"theoretical_or_conceptual","study_design_scores_codex":[0.00057045,0.00008690682,0.007935619,0.0005391309,0.0001159587,0.000008235475,0.0009599695,0.003152888,0.8775852,0.01881192,0.0003722564,0.08986147],"study_design_scores_gemma":[0.02942712,0.006989934,0.1985947,0.0004203608,0.0002127916,0.0009877596,0.004237685,0.02829586,0.2990447,0.3296567,0.09682827,0.00530406],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.8862692,0.0002228423,0.1112905,0.0001452641,0.0001690078,0.0007793195,0.000085568,0.00004838255,0.0009899591],"genre_scores_gemma":[0.9730402,0.00004042824,0.0258315,0.000609257,0.0001238008,0.00001848814,0.0003068502,0.00001507604,0.00001436355],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.5785405,"threshold_uncertainty_score":0.7117468,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01025151693632589,"score_gpt":0.2162538254942753,"score_spread":0.2060023085579494,"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."}}