{"id":"W2122142917","doi":"10.1016/j.jalz.2013.08.124","title":"P4‐343: Biophysical studies on the interactions of BETA‐AMYLOID and pseudopeptidic inhibitors of BETA‐AMYLOID oligomerization: Molecular dynamics simulations","year":2012,"lang":"en","type":"article","venue":"Alzheimer s & Dementia","topic":"Alzheimer's disease research and treatments","field":"Medicine","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Calgary","funders":"","keywords":"Chemistry; Antiparallel (mathematics); Amyloid beta; Peptide; Ligand (biochemistry); Molecular dynamics; Protonation; Biophysics; Amyloid (mycology); Stereochemistry; Senile plaques; BETA (programming language); Binding site; Biochemistry; Alzheimer's disease; Receptor; Computational chemistry; Biology; Disease; 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":[0.0004865348,0.000867363,0.001269614,0.0004458948,0.00127344,0.0008531002,0.001790573,0.001939415,0.006058013],"category_scores_gemma":[0.001097853,0.0005491192,0.001070436,0.0006083118,0.0009319524,0.0009187336,0.000471081,0.001698952,0.0004900222],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001776792,"about_ca_system_score_gemma":0.001413438,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.01370208,"about_ca_topic_score_gemma":0.008702252,"domain_scores_codex":[0.9997965,0.0000435894,0.000006884457,0.00002488709,0.00005420785,0.00007399589],"domain_scores_gemma":[0.9992328,0.0004337232,0.00004886311,0.00003441781,0.0001214173,0.00012883],"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":[0.000324699,0.0006262262,0.003106929,0.0001483644,0.000129332,0.0003168462,0.0001790779,0.9773959,0.008171815,0.004197561,0.002096304,0.00330688],"study_design_scores_gemma":[0.00008589166,0.0001188883,0.0008922951,0.00001274717,0.00001487489,0.00001915384,0.0000475735,0.9964445,0.001273836,0.0005886413,0.0004866603,0.0000149534],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9792991,0.000450716,0.00694576,0.0006707468,0.00009760523,0.0000927369,0.0008569366,0.0001837135,0.01140283],"genre_scores_gemma":[0.9885015,0.0004736402,0.006852564,0.000253471,0.00003702435,0.0002888366,0.00128562,0.0001158838,0.002191392],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01370208,"threshold_uncertainty_score":0.02724463,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.03902995662021087,"score_gpt":0.3312937340460917,"score_spread":0.2922637774258809,"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."}}