{"id":"W4230846479","doi":"10.26434/chemrxiv.13385387.v1","title":"Protein Footprinting, Conformational Dynamics and Interface-Adjacent Neutralization ‘Hotspots’ in the SARS-CoV-2 Spike Protein Receptor Binding Domain / Human ACE2 Interaction","year":2020,"lang":"en","type":"preprint","venue":"ChemRxiv","topic":"SARS-CoV-2 and COVID-19 Research","field":"Medicine","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"Sanofi (Canada); York University","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Spike Protein; Spike (software development); Footprinting; Neutralization; Biophysics; Plasma protein binding; Chemistry; Binding site; Receptor; Antibody; Biology; Coronavirus disease 2019 (COVID-19); Biochemistry; Computer science; Genetics; Transcription factor; Gene","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":[0.0001335046,0.0001572399,0.0001403383,0.00009758662,0.0001503582,0.000209364,0.0001951461,0.0001620781,0.002674952],"category_scores_gemma":[0.0001260629,0.00009471986,0.0001585121,0.0001209134,0.0001857283,0.0001377686,0.0001275609,0.0003606615,0.0003269403],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001848759,"about_ca_system_score_gemma":0.00008335635,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0009730147,"about_ca_topic_score_gemma":0.001074077,"domain_scores_codex":[0.9999273,0.000008618345,0.000002626497,0.00001844414,0.00002421964,0.00001882258],"domain_scores_gemma":[0.9999169,0.00002619669,0.0000185116,0.000008099035,0.000007168351,0.0000231284],"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":[0.0003319674,0.00005831738,0.001768035,0.00002495335,0.00001553614,0.00008053287,0.00005460373,0.0005902008,0.9952986,0.0001334829,0.0001115573,0.001532185],"study_design_scores_gemma":[0.00002260158,0.0001751954,0.02029748,0.000002844204,0.00001235491,0.0002339978,0.00007991742,0.006548099,0.9716138,0.0001072477,0.0008964349,0.00001006918],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9974254,0.0001543957,0.00150803,0.00004089694,0.000008401946,0.000003574442,0.0001592386,0.00002873771,0.0006713254],"genre_scores_gemma":[0.9969013,0.00008483729,0.00172536,0.00003629877,0.000003502442,0.000004390424,0.0003323821,0.00001743878,0.0008946465],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002674952,"threshold_uncertainty_score":0.008948565,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.06820254802889651,"score_gpt":0.3638441902943354,"score_spread":0.2956416422654389,"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."}}