{"id":"W1987841911","doi":"10.1063/1.4894436","title":"Derivation of a Markov state model of the dynamics of a protein-like chain immersed in an implicit solvent","year":2014,"lang":"en","type":"article","venue":"The Journal of Chemical Physics","topic":"Protein Structure and Dynamics","field":"Biochemistry, Genetics and Molecular Biology","cited_by":2,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Toronto","funders":"Canadian Network for Research and Innovation in Machining Technology, Natural Sciences and Engineering Research Council of Canada","keywords":"Markov chain; Chain (unit); Eigenvalues and eigenvectors; Markov process; Relaxation (psychology); Molecular dynamics; Transition rate matrix; Scale (ratio); State (computer science)","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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0005471183,0.000478729,0.0007786312,0.0004679262,0.0005330243,0.0007347888,0.001400052,0.0009643569,0.002651072],"category_scores_gemma":[0.001169672,0.0004572039,0.0008551597,0.0004465109,0.0009466814,0.001114455,0.0007079779,0.001116844,0.000489393],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001063612,"about_ca_system_score_gemma":0.001828904,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.007155298,"about_ca_topic_score_gemma":0.00481177,"domain_scores_codex":[0.9998453,0.00003572266,0.000007531189,0.00002047646,0.00006216367,0.00002876263],"domain_scores_gemma":[0.9995604,0.0002109724,0.00005612117,0.00003322895,0.00009700948,0.00004221431],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.00001939739,0.00002137179,0.0003683965,0.00004094286,0.00001274567,0.0001322136,0.0000552673,0.8835955,0.003516102,0.1092789,0.0002896617,0.002669536],"study_design_scores_gemma":[0.000003074226,0.00000692629,0.00003965724,0.000003541424,0.000001687531,0.0000105193,0.000003304876,0.9920608,0.0002032125,0.00727097,0.0003918868,0.00000436455],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"methods","genre_gemma":"empirical","genre_scores_codex":[0.0337589,0.000354757,0.9590982,0.0003036877,0.0000542047,0.00005251415,0.0001547242,0.0001523811,0.006070587],"genre_scores_gemma":[0.8004562,0.001243479,0.1810941,0.0001915408,0.0001014436,0.0006440527,0.0006235088,0.0002446316,0.01540106],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.007155298,"threshold_uncertainty_score":0.01422733,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.005955977095498666,"score_gpt":0.2235129491032035,"score_spread":0.2175569720077048,"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."}}