{"id":"W3176924506","doi":"10.1002/wcms.1557","title":"Quantum mechanical/molecular mechanical studies of photophysical properties of fluorescent proteins","year":2021,"lang":"en","type":"article","venue":"Wiley Interdisciplinary Reviews Computational Molecular Science","topic":"Advanced Fluorescence Microscopy Techniques","field":"Biochemistry, Genetics and Molecular Biology","cited_by":13,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Alberta","funders":"Natural Sciences and Engineering Research Council of Canada; Consejo Nacional de Ciencia y Tecnología","keywords":"Chromophore; Polarizability; Fluorescence; Quantum; Molecular dynamics; Compass; Embedding; Nanotechnology; Materials science; Chemistry; Chemical physics; Computer science; Physics; Computational chemistry; Molecule; Photochemistry; Optics; Artificial intelligence; 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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0004977213,0.0003360954,0.0002603318,0.000275727,0.0002006593,0.0002774376,0.0005767118,0.0004762621,0.001477433],"category_scores_gemma":[0.000658315,0.0001832675,0.0003805399,0.0003507833,0.0005809009,0.0005118833,0.0003800974,0.0007485567,0.0001854838],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000479043,"about_ca_system_score_gemma":0.0001769701,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0007694315,"about_ca_topic_score_gemma":0.0003388904,"domain_scores_codex":[0.9998474,0.0000310342,0.000005150815,0.00002627772,0.00007042799,0.00001974048],"domain_scores_gemma":[0.9998422,0.00009095672,0.00001813181,0.00001515322,0.00002757267,0.000006001707],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.0001294844,0.0002509076,0.001701532,0.002108094,0.0001471908,0.0004046747,0.0003420127,0.2381508,0.3888651,0.2885326,0.003492591,0.07587498],"study_design_scores_gemma":[0.00002147102,0.000125934,0.004038439,0.0001045245,0.00002752246,0.0001327946,0.00008787432,0.8305655,0.126283,0.02688709,0.01166258,0.00006332144],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.6982874,0.04573316,0.2074544,0.002129276,0.0004192978,0.00009818603,0.0003278916,0.0002998993,0.04525052],"genre_scores_gemma":[0.9658662,0.0133529,0.01752703,0.0001988583,0.00009460442,0.00006522705,0.0001576824,0.00004081913,0.00269657],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001477433,"threshold_uncertainty_score":0.004942477,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.03301359239301957,"score_gpt":0.3531737060524849,"score_spread":0.3201601136594654,"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."}}