{"id":"W2005594958","doi":"10.1016/j.bbabio.2012.05.016","title":"Exploring the energetics of water permeation in photosystem II by multiple steered molecular dynamics simulations","year":2012,"lang":"en","type":"article","venue":"Biochimica et Biophysica Acta (BBA) - Bioenergetics","topic":"Photosynthetic Processes and Mechanisms","field":"Biochemistry, Genetics and Molecular Biology","cited_by":125,"is_retracted":false,"has_abstract":false,"ca_institutions":"Brock University","funders":"Natural Sciences and Engineering Research Council of Canada; Compute Canada; U.S. Department of Energy","keywords":"Energetics; Photosystem II; Molecular dynamics; Permeation; Chemical physics; Dynamics (music); Chemistry; Biophysics; Physics; Biological system; Computational chemistry; Statistical physics; Photosynthesis; Thermodynamics; Biology; Membrane; Biochemistry","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":["metaepi_narrow"],"consensus_categories":[],"category_scores_codex":[0.0002732682,0.0003735578,0.000322743,0.0001024704,0.0001660718,0.00003164507,0.000457332,0.0001948077,0.00001066695],"category_scores_gemma":[0.00008781136,0.0002762899,0.0001813739,0.0002490444,0.0001379977,0.00003423526,0.0003494885,0.0001652488,0.000004457205],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00006788337,"about_ca_system_score_gemma":0.000075205,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00006527099,"about_ca_topic_score_gemma":0.00003444955,"domain_scores_codex":[0.9979233,0.0001485805,0.0005585201,0.0004233914,0.0003266074,0.0006195866],"domain_scores_gemma":[0.9987769,0.00004067173,0.0002051055,0.0006879197,0.0001468055,0.0001426646],"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":[0.00006505829,0.0003994032,0.00001956193,0.0000526205,0.00006938757,4.136206e-7,0.0005777132,0.0004343749,0.9977542,0.0004746743,0.0000342235,0.0001184003],"study_design_scores_gemma":[0.0004859451,0.0002122806,0.00006118842,0.00003930586,0.00006891375,0.000003836524,0.0002678537,0.006285533,0.9904525,0.00006867753,0.001678517,0.0003754976],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.996655,0.0001355751,0.001672634,0.0004267919,0.0003004501,0.0003619429,0.000304346,0.00002547755,0.0001177155],"genre_scores_gemma":[0.9977526,0.0002963914,0.0004195714,0.0001503298,0.0001278671,0.00008821915,0.0009036214,0.00007517249,0.000186237],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.007301718,"threshold_uncertainty_score":0.9999689,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02115793143628222,"score_gpt":0.2336292788407626,"score_spread":0.2124713474044803,"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."}}