PMC:7441777 / 32946-33475 JSONTXT

{"target":"https://pubannotation.org/docs/sourcedb/PMC/sourceid/7441777","sourcedb":"PMC","sourceid":"7441777","source_url":"https://www.ncbi.nlm.nih.gov/pmc/7441777","text":"Further, to gain a deeper insight into the best four RdRp/polyphenols and remdesivir interaction pattern, the total binding free energy was decomposed into polyphenols-residue pair based on the MM-GBSA scheme. The approach of per-residue based contributions is useful to determine the binding mechanisms of an inhibitor at an atomistic level, and it also reveals the individual residue contributions. The different energy contributions from the backbone and side-chain of each residue are shown in Figure 5 and listed in Table 5.","tracks":[{"project":"LitCovid-PD-FMA-UBERON","denotations":[{"id":"T52","span":{"begin":445,"end":453},"obj":"Body_part"}],"attributes":[{"id":"A52","pred":"fma_id","subj":"T52","obj":"http://purl.org/sig/ont/fma/fma13478"},{"subj":"T52","pred":"source","obj":"LitCovid-PD-FMA-UBERON"}]},{"project":"LitCovid-PD-CLO","denotations":[{"id":"T202","span":{"begin":17,"end":18},"obj":"http://purl.obolibrary.org/obo/CLO_0001020"}],"attributes":[{"subj":"T202","pred":"source","obj":"LitCovid-PD-CLO"}]},{"project":"LitCovid-PD-CHEBI","denotations":[{"id":"T453","span":{"begin":58,"end":69},"obj":"Chemical"},{"id":"T454","span":{"begin":74,"end":84},"obj":"Chemical"},{"id":"T455","span":{"begin":156,"end":167},"obj":"Chemical"},{"id":"T456","span":{"begin":194,"end":196},"obj":"Chemical"},{"id":"T458","span":{"begin":310,"end":319},"obj":"Chemical"}],"attributes":[{"id":"A453","pred":"chebi_id","subj":"T453","obj":"http://purl.obolibrary.org/obo/CHEBI_26195"},{"id":"A454","pred":"chebi_id","subj":"T454","obj":"http://purl.obolibrary.org/obo/CHEBI_145994"},{"id":"A455","pred":"chebi_id","subj":"T455","obj":"http://purl.obolibrary.org/obo/CHEBI_26195"},{"id":"A456","pred":"chebi_id","subj":"T456","obj":"http://purl.obolibrary.org/obo/CHEBI_53458"},{"id":"A457","pred":"chebi_id","subj":"T456","obj":"http://purl.obolibrary.org/obo/CHEBI_74707"},{"id":"A458","pred":"chebi_id","subj":"T458","obj":"http://purl.obolibrary.org/obo/CHEBI_35222"},{"subj":"T453","pred":"source","obj":"LitCovid-PD-CHEBI"},{"subj":"T454","pred":"source","obj":"LitCovid-PD-CHEBI"},{"subj":"T455","pred":"source","obj":"LitCovid-PD-CHEBI"},{"subj":"T456","pred":"source","obj":"LitCovid-PD-CHEBI"},{"subj":"T458","pred":"source","obj":"LitCovid-PD-CHEBI"}]},{"project":"LitCovid-PubTator","denotations":[{"id":"802","span":{"begin":53,"end":57},"obj":"Gene"},{"id":"803","span":{"begin":58,"end":69},"obj":"Chemical"},{"id":"804","span":{"begin":74,"end":84},"obj":"Chemical"},{"id":"805","span":{"begin":156,"end":167},"obj":"Chemical"}],"attributes":[{"id":"A802","pred":"tao:has_database_id","subj":"802","obj":"Gene:43740578"},{"id":"A803","pred":"tao:has_database_id","subj":"803","obj":"MESH:D059808"},{"id":"A804","pred":"tao:has_database_id","subj":"804","obj":"MESH:C000606551"},{"id":"A805","pred":"tao:has_database_id","subj":"805","obj":"MESH:D059808"},{"subj":"802","pred":"source","obj":"LitCovid-PubTator"},{"subj":"803","pred":"source","obj":"LitCovid-PubTator"},{"subj":"804","pred":"source","obj":"LitCovid-PubTator"},{"subj":"805","pred":"source","obj":"LitCovid-PubTator"}],"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_"}]},{"project":"LitCovid-sentences","denotations":[{"id":"T309","span":{"begin":0,"end":209},"obj":"Sentence"},{"id":"T310","span":{"begin":210,"end":400},"obj":"Sentence"},{"id":"T311","span":{"begin":401,"end":529},"obj":"Sentence"}],"namespaces":[{"prefix":"_base","uri":"http://pubannotation.org/ontology/tao.owl#"}],"attributes":[{"subj":"T309","pred":"source","obj":"LitCovid-sentences"},{"subj":"T310","pred":"source","obj":"LitCovid-sentences"},{"subj":"T311","pred":"source","obj":"LitCovid-sentences"}]}],"config":{"attribute types":[{"pred":"source","value type":"selection","values":[{"id":"LitCovid-PD-FMA-UBERON","color":"#93b8ec","default":true},{"id":"LitCovid-PD-CLO","color":"#d2ec93"},{"id":"LitCovid-PD-CHEBI","color":"#eb93ec"},{"id":"LitCovid-PubTator","color":"#93ecd1"},{"id":"LitCovid-sentences","color":"#ecb793"}]}]}}