{"id":"W2161902233","doi":"10.1063/1.1790851","title":"Hamilton-Jacobi equation for the least-action/least-time dynamical path based on fast marching method","year":2004,"lang":"en","type":"article","venue":"The Journal of Chemical Physics","topic":"Hemoglobin structure and function","field":"Biochemistry, Genetics and Molecular Biology","cited_by":41,"is_retracted":false,"has_abstract":true,"ca_institutions":"McMaster University","funders":"Natural Sciences and Engineering Research Council of Canada; Ontario Research Foundation; McMaster University; Ontario Innovation Trust","keywords":"Hamilton–Jacobi equation; Action (physics); Fast marching method; Cartesian coordinate system; Mathematics; Equations of motion; Reaction dynamics; Grid; Applied mathematics; Classical mechanics; Physics; Algorithm; Geometry","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":[0.0004331739,0.0001346465,0.0001472686,0.00001315762,0.0001081592,0.00002090425,0.000223428,0.00009459083,0.000005429744],"category_scores_gemma":[0.0000943901,0.00007676774,0.0001841636,0.00007781182,0.00006911488,0.000008637864,0.00002436165,0.0002765051,0.000003800423],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00005491209,"about_ca_system_score_gemma":0.00009621157,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000004211628,"about_ca_topic_score_gemma":2.7539e-7,"domain_scores_codex":[0.9991725,0.00007777364,0.0002369018,0.0001160406,0.0002324358,0.0001643191],"domain_scores_gemma":[0.9991962,0.0001838716,0.0002117555,0.0002178325,0.0001339977,0.000056314],"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":[0.0006770242,0.00006092723,0.000002704561,0.00000981661,0.00005598168,3.190966e-7,0.00005358365,0.03600264,0.938444,0.0001153406,0.0003949859,0.02418271],"study_design_scores_gemma":[0.001739127,0.0005889598,0.00007373465,0.0000452821,0.000190295,0.00008337918,0.0000754123,0.04734268,0.938864,0.007939262,0.002857834,0.0002000539],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"methods","genre_gemma":"empirical","genre_scores_codex":[0.1632836,0.00004116461,0.8354012,0.0007611821,0.0001925714,0.0001537233,0.00001474886,0.000005378551,0.0001463765],"genre_scores_gemma":[0.991832,0.0000123014,0.005977201,0.0006397282,0.001437475,0.000004580371,0.00004316725,0.00002160104,0.000031906],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.829424,"threshold_uncertainty_score":0.3130498,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01693049242166136,"score_gpt":0.2816455137930736,"score_spread":0.2647150213714123,"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."}}