PMC:7441777 / 16125-16407 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":"ization to remove any residual steric clashes. Subsequently, all systems were gradually heated from 0 K to 300 K at the NVT ensemble with a force constant of 2.0 kcal mol−1Å−2 acting on all solute atoms. Next, 1.0 ns equilibration MD phase was carried out without any restraint. Fin","tracks":[{"project":"LitCovid-PD-CLO","denotations":[{"id":"T106","span":{"begin":138,"end":139},"obj":"http://purl.obolibrary.org/obo/CLO_0001020"},{"id":"T107","span":{"begin":171,"end":175},"obj":"http://purl.obolibrary.org/obo/CLO_0001146"},{"id":"T108","span":{"begin":231,"end":233},"obj":"http://purl.obolibrary.org/obo/CLO_0007622"}],"attributes":[{"subj":"T106","pred":"source","obj":"LitCovid-PD-CLO"},{"subj":"T107","pred":"source","obj":"LitCovid-PD-CLO"},{"subj":"T108","pred":"source","obj":"LitCovid-PD-CLO"}]},{"project":"LitCovid-PD-CHEBI","denotations":[{"id":"T243","span":{"begin":197,"end":202},"obj":"Chemical"},{"id":"T244","span":{"begin":231,"end":233},"obj":"Chemical"}],"attributes":[{"id":"A243","pred":"chebi_id","subj":"T243","obj":"http://purl.obolibrary.org/obo/CHEBI_33250"},{"id":"A244","pred":"chebi_id","subj":"T244","obj":"http://purl.obolibrary.org/obo/CHEBI_74699"},{"subj":"T243","pred":"source","obj":"LitCovid-PD-CHEBI"},{"subj":"T244","pred":"source","obj":"LitCovid-PD-CHEBI"}]},{"project":"LitCovid-sentences","denotations":[{"id":"T168","span":{"begin":47,"end":203},"obj":"Sentence"},{"id":"T169","span":{"begin":204,"end":278},"obj":"Sentence"}],"namespaces":[{"prefix":"_base","uri":"http://pubannotation.org/ontology/tao.owl#"}],"attributes":[{"subj":"T168","pred":"source","obj":"LitCovid-sentences"},{"subj":"T169","pred":"source","obj":"LitCovid-sentences"}]}],"config":{"attribute types":[{"pred":"source","value type":"selection","values":[{"id":"LitCovid-PD-CLO","color":"#ec93d9","default":true},{"id":"LitCovid-PD-CHEBI","color":"#93ece4"},{"id":"LitCovid-sentences","color":"#ecca93"}]}]}}