{"id":"W2320728366","doi":"10.1021/jp207533p","title":"Molecular Dynamics Simulation Study of Adsorption and Patterning of DNA Bases on the Au(111) Surface","year":2011,"lang":"en","type":"article","venue":"The Journal of Physical Chemistry C","topic":"Molecular Junctions and Nanostructures","field":"Engineering","cited_by":30,"is_retracted":false,"has_abstract":true,"ca_institutions":"Steacie Institute for Molecular Sciences","funders":"University of Isfahan; Isfahan University of Technology","keywords":"Thymine; Guanine; Nucleobase; Cytosine; Molecule; Chemistry; Molecular dynamics; Hydrogen bond; Chemical physics; Crystallography; DNA; Base pair; Scanning tunneling microscope; Computational chemistry; Materials science; Nanotechnology; Nucleotide; Organic chemistry","routes":{"ca_aff":true,"ca_fund":false,"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":[0.0002745622,0.0006157969,0.001038155,0.0005595586,0.0009742122,0.0006355503,0.000833855,0.001568762,0.002641836],"category_scores_gemma":[0.001139196,0.0004875366,0.0007607257,0.0006537741,0.0008024907,0.0006884755,0.0004486534,0.0009824375,0.0001546716],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001421865,"about_ca_system_score_gemma":0.001188638,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.02135763,"about_ca_topic_score_gemma":0.0108561,"domain_scores_codex":[0.9998368,0.00003493167,0.000004915148,0.00002212985,0.00003896263,0.00006219202],"domain_scores_gemma":[0.9994367,0.000301602,0.00004135674,0.00003199183,0.00009540183,0.00009296106],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.0002244576,0.0001994505,0.005066582,0.00009297386,0.00008251023,0.0003744341,0.0001396417,0.9819006,0.00564593,0.003930599,0.0006542305,0.001688514],"study_design_scores_gemma":[0.00004442401,0.0000577096,0.001218628,0.000006931816,0.000009022704,0.00001793252,0.0000398903,0.997244,0.0007903076,0.0003260202,0.0002363444,0.000008729805],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9889063,0.0002009325,0.003522152,0.0003258873,0.00003146781,0.00004688717,0.0004324209,0.00007855306,0.006455397],"genre_scores_gemma":[0.9935075,0.0001626588,0.003933659,0.00008690236,0.00001411156,0.0001106533,0.0005754535,0.00003159418,0.001577549],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.02135763,"threshold_uncertainty_score":0.04246664,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01057134379832907,"score_gpt":0.2113482422801796,"score_spread":0.2007768984818506,"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."}}