PMC:7441777 / 16498-16679 JSONTXT

{"project":"LitCovid-PD-CHEBI","denotations":[{"id":"T245","span":{"begin":166,"end":168},"obj":"Chemical"}],"attributes":[{"id":"A245","pred":"chebi_id","subj":"T245","obj":"http://purl.obolibrary.org/obo/CHEBI_53458"},{"id":"A246","pred":"chebi_id","subj":"T245","obj":"http://purl.obolibrary.org/obo/CHEBI_74707"}],"text":"Overall, we accumulated 15000 conformations for each simulation, and we used 500 snapshots from the last 50 ns trajectories for binding affinity estimation using the MM-PBSA scheme."}

{"project":"LitCovid-PubTator","denotations":[{"id":"371","span":{"begin":169,"end":173},"obj":"Chemical"}],"attributes":[{"id":"A371","pred":"tao:has_database_id","subj":"371","obj":"MESH:C437084"}],"namespaces":[{"prefix":"Tax","uri":"https://www.ncbi.nlm.nih.gov/taxonomy/"},{"prefix":"MESH","uri":"https://id.nlm.nih.gov/mesh/"},{"prefix":"Gene","uri":"https://www.ncbi.nlm.nih.gov/gene/"},{"prefix":"CVCL","uri":"https://web.expasy.org/cellosaurus/CVCL_"}],"text":"Overall, we accumulated 15000 conformations for each simulation, and we used 500 snapshots from the last 50 ns trajectories for binding affinity estimation using the MM-PBSA scheme."}

{"project":"LitCovid-sentences","denotations":[{"id":"T171","span":{"begin":0,"end":181},"obj":"Sentence"}],"namespaces":[{"prefix":"_base","uri":"http://pubannotation.org/ontology/tao.owl#"}],"text":"Overall, we accumulated 15000 conformations for each simulation, and we used 500 snapshots from the last 50 ns trajectories for binding affinity estimation using the MM-PBSA scheme."}