{"id":"W2128082939","doi":"10.1007/s12013-012-9394-6","title":"Discontinuous Molecular Dynamics (DMD) Study of Heteropolymer Collapse in an Explicit Solvent","year":2012,"lang":"en","type":"article","venue":"Cell Biochemistry and Biophysics","topic":"Polymer crystallization and properties","field":"Materials Science","cited_by":2,"is_retracted":false,"has_abstract":false,"ca_institutions":"University of Prince Edward Island","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Solvent; Molecular dynamics; Monomer; Phase diagram; Scaling; Structure factor; Polymer; Phase (matter); Chemistry; Chemical physics; Thermodynamics; Materials science; Crystallography; Computational chemistry; Physics; Organic chemistry; Mathematics; 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":[0.00007886414,0.0001302804,0.000163327,0.00001801067,0.00004300908,0.0000331351,0.0001293361,0.00005454751,0.00002769416],"category_scores_gemma":[0.000003244015,0.0001114264,0.00002322652,0.0001018883,0.00007505014,0.0001308093,0.00008023588,0.00004711176,0.000002696423],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00002249357,"about_ca_system_score_gemma":0.0000216794,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00005164502,"about_ca_topic_score_gemma":0.000005946952,"domain_scores_codex":[0.999241,0.00003735233,0.0002000434,0.0001889556,0.0001250876,0.0002075633],"domain_scores_gemma":[0.9995562,0.000007063857,0.00008597728,0.0002327434,0.00002411783,0.00009386698],"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":[0.00003082918,0.00093248,0.003211309,0.00006376198,0.000002883395,0.000002098584,0.001331576,0.000005076783,0.9941713,0.00003222472,0.00000215287,0.0002142786],"study_design_scores_gemma":[0.0003603256,0.0001312639,0.0001838096,0.00001329481,0.00001332134,0.000001038283,0.003204285,0.0001513449,0.9957709,0.00001440319,0.000007155211,0.0001488668],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9988128,0.0005538865,0.00008872335,0.00000942166,0.0000756794,0.0001188097,0.00002554945,0.00001542118,0.0002997034],"genre_scores_gemma":[0.999643,0.00001010999,0.00004096636,0.00002925978,0.00003948341,0.0000108733,0.00002283875,0.00001064899,0.0001928461],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.003027499,"threshold_uncertainty_score":0.4543836,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01035595354484009,"score_gpt":0.229692949758096,"score_spread":0.2193369962132559,"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."}}