{"id":"W2091882305","doi":"10.1007/s11120-011-9689-2","title":"Calculation of chromophore excited state energy shifts in response to molecular dynamics of pigment–protein complexes","year":2011,"lang":"en","type":"article","venue":"Photosynthesis Research","topic":"Photosynthetic Processes and Mechanisms","field":"Biochemistry, Genetics and Molecular Biology","cited_by":15,"is_retracted":false,"has_abstract":false,"ca_institutions":"Brock University","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Chromophore; Excited state; Pigment; Dynamics (music); Photochemistry; Chemistry; Molecular dynamics; Chemical physics; Biophysics; Computational chemistry; Atomic physics; Physics; Biology; Organic chemistry","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":[0.001462567,0.000169468,0.0002884892,0.000437898,0.00004383902,0.000008845583,0.0004512232,0.0001352945,0.00007543067],"category_scores_gemma":[0.0006227072,0.0001702791,0.00008898998,0.0005657693,0.0001493281,0.000006072051,0.0002733047,0.0001121185,0.000003060229],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00007616422,"about_ca_system_score_gemma":0.0002588317,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001652178,"about_ca_topic_score_gemma":0.0006609475,"domain_scores_codex":[0.9976885,0.0005012441,0.0004281967,0.0004307245,0.0005031782,0.000448173],"domain_scores_gemma":[0.9987797,0.00007647531,0.0001100832,0.0005656077,0.0003252039,0.0001429223],"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":[0.002495195,0.0002543984,0.00005889176,0.00006520964,0.00003475018,0.00001365298,0.0005745284,0.00003419057,0.994128,0.0004211767,0.000006560735,0.001913401],"study_design_scores_gemma":[0.0003170157,0.0006197958,0.0009716236,0.000133266,0.000004213437,0.000001901637,0.0001951429,0.0006977768,0.9944267,0.002113204,0.0003568414,0.0001625393],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9929018,0.0001322728,0.00580652,0.0000701298,0.00001593407,0.0004130662,0.00008576612,0.000006417165,0.0005680764],"genre_scores_gemma":[0.9987624,0.00006688697,0.0007620465,0.00002320224,0.000007513137,0.0001349866,0.00002722688,0.00003745174,0.0001782421],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.005860627,"threshold_uncertainty_score":0.6943779,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.03687312001311656,"score_gpt":0.3068276901130871,"score_spread":0.2699545700999706,"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."}}