PMC:7441777 / 49961-50302 JSONTXT

{"project":"LitCovid-PD-CLO","denotations":[{"id":"T327","span":{"begin":78,"end":81},"obj":"http://purl.obolibrary.org/obo/CLO_0009325"}],"text":"Further, we performed 150 ns molecular dynamics simulation of RdRp/EGCG, RdRp/TF1, RdRp/TF2a, RdRp/TF2b, RdRp/TF3, RdRp/hesperidin, RdRp/myricetin, RdRp/quercetagetin, along with RdRp/remdesivir complex and computed the binding energies by the molecular mechanics-Poisson-Boltzmann surface area (MM-PBSA) scheme from last 50 ns trajectories."}

{"project":"LitCovid-PD-CHEBI","denotations":[{"id":"T98962","span":{"begin":67,"end":71},"obj":"Chemical"},{"id":"T71966","span":{"begin":120,"end":130},"obj":"Chemical"},{"id":"T90398","span":{"begin":137,"end":146},"obj":"Chemical"},{"id":"T23792","span":{"begin":153,"end":166},"obj":"Chemical"},{"id":"T42245","span":{"begin":184,"end":194},"obj":"Chemical"},{"id":"T90588","span":{"begin":296,"end":298},"obj":"Chemical"}],"attributes":[{"id":"A56175","pred":"chebi_id","subj":"T98962","obj":"http://purl.obolibrary.org/obo/CHEBI_4806"},{"id":"A60636","pred":"chebi_id","subj":"T71966","obj":"http://purl.obolibrary.org/obo/CHEBI_28775"},{"id":"A5078","pred":"chebi_id","subj":"T90398","obj":"http://purl.obolibrary.org/obo/CHEBI_18152"},{"id":"A58801","pred":"chebi_id","subj":"T90398","obj":"http://purl.obolibrary.org/obo/CHEBI_58395"},{"id":"A38961","pred":"chebi_id","subj":"T23792","obj":"http://purl.obolibrary.org/obo/CHEBI_8695"},{"id":"A84879","pred":"chebi_id","subj":"T42245","obj":"http://purl.obolibrary.org/obo/CHEBI_145994"},{"id":"A85075","pred":"chebi_id","subj":"T90588","obj":"http://purl.obolibrary.org/obo/CHEBI_53458"},{"id":"A60364","pred":"chebi_id","subj":"T90588","obj":"http://purl.obolibrary.org/obo/CHEBI_74707"}],"text":"Further, we performed 150 ns molecular dynamics simulation of RdRp/EGCG, RdRp/TF1, RdRp/TF2a, RdRp/TF2b, RdRp/TF3, RdRp/hesperidin, RdRp/myricetin, RdRp/quercetagetin, along with RdRp/remdesivir complex and computed the binding energies by the molecular mechanics-Poisson-Boltzmann surface area (MM-PBSA) scheme from last 50 ns trajectories."}

{"project":"LitCovid-PubTator","denotations":[{"id":"1526","span":{"begin":62,"end":66},"obj":"Gene"},{"id":"1527","span":{"begin":73,"end":77},"obj":"Gene"},{"id":"1528","span":{"begin":83,"end":87},"obj":"Gene"},{"id":"1529","span":{"begin":94,"end":98},"obj":"Gene"},{"id":"1530","span":{"begin":99,"end":103},"obj":"Gene"},{"id":"1531","span":{"begin":105,"end":109},"obj":"Gene"},{"id":"1532","span":{"begin":115,"end":119},"obj":"Gene"},{"id":"1533","span":{"begin":132,"end":136},"obj":"Gene"},{"id":"1534","span":{"begin":148,"end":152},"obj":"Gene"},{"id":"1535","span":{"begin":179,"end":183},"obj":"Gene"},{"id":"1549","span":{"begin":184,"end":194},"obj":"Chemical"}],"attributes":[{"id":"A1526","pred":"tao:has_database_id","subj":"1526","obj":"Gene:43740578"},{"id":"A1527","pred":"tao:has_database_id","subj":"1527","obj":"Gene:43740578"},{"id":"A1528","pred":"tao:has_database_id","subj":"1528","obj":"Gene:43740578"},{"id":"A1529","pred":"tao:has_database_id","subj":"1529","obj":"Gene:43740578"},{"id":"A1530","pred":"tao:has_database_id","subj":"1530","obj":"Gene:2959"},{"id":"A1531","pred":"tao:has_database_id","subj":"1531","obj":"Gene:43740578"},{"id":"A1532","pred":"tao:has_database_id","subj":"1532","obj":"Gene:43740578"},{"id":"A1533","pred":"tao:has_database_id","subj":"1533","obj":"Gene:43740578"},{"id":"A1534","pred":"tao:has_database_id","subj":"1534","obj":"Gene:43740578"},{"id":"A1535","pred":"tao:has_database_id","subj":"1535","obj":"Gene:43740578"},{"id":"A1549","pred":"tao:has_database_id","subj":"1549","obj":"MESH:C000606551"}],"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":"Further, we performed 150 ns molecular dynamics simulation of RdRp/EGCG, RdRp/TF1, RdRp/TF2a, RdRp/TF2b, RdRp/TF3, RdRp/hesperidin, RdRp/myricetin, RdRp/quercetagetin, along with RdRp/remdesivir complex and computed the binding energies by the molecular mechanics-Poisson-Boltzmann surface area (MM-PBSA) scheme from last 50 ns trajectories."}

{"project":"LitCovid-PD-GlycoEpitope","denotations":[{"id":"T16","span":{"begin":78,"end":81},"obj":"GlycoEpitope"}],"attributes":[{"id":"A16","pred":"glyco_epitope_db_id","subj":"T16","obj":"http://www.glycoepitope.jp/epitopes/AN0049"}],"text":"Further, we performed 150 ns molecular dynamics simulation of RdRp/EGCG, RdRp/TF1, RdRp/TF2a, RdRp/TF2b, RdRp/TF3, RdRp/hesperidin, RdRp/myricetin, RdRp/quercetagetin, along with RdRp/remdesivir complex and computed the binding energies by the molecular mechanics-Poisson-Boltzmann surface area (MM-PBSA) scheme from last 50 ns trajectories."}

{"project":"LitCovid-sentences","denotations":[{"id":"T524","span":{"begin":0,"end":341},"obj":"Sentence"}],"namespaces":[{"prefix":"_base","uri":"http://pubannotation.org/ontology/tao.owl#"}],"text":"Further, we performed 150 ns molecular dynamics simulation of RdRp/EGCG, RdRp/TF1, RdRp/TF2a, RdRp/TF2b, RdRp/TF3, RdRp/hesperidin, RdRp/myricetin, RdRp/quercetagetin, along with RdRp/remdesivir complex and computed the binding energies by the molecular mechanics-Poisson-Boltzmann surface area (MM-PBSA) scheme from last 50 ns trajectories."}