PMC:7219429 / 7606-7947
Annnotations
{"target":"https://pubannotation.org/docs/sourcedb/PMC/sourceid/7219429","sourcedb":"PMC","sourceid":"7219429","source_url":"https://www.ncbi.nlm.nih.gov/pmc/7219429","text":"According to the validation ligand-binding protocol [25], the optimized docked structures were used as the initial structures for MD simulations with the following parameters: heat time 5 ps, run time 10 ps, step size 1 fs, starting temperature 0 K, simulation temperature 300 K, temperature step 30 K, bath relaxation time step size 0.1 ps.","tracks":[{"project":"LitCovid-PD-CLO","denotations":[{"id":"T75","span":{"begin":130,"end":132},"obj":"http://purl.obolibrary.org/obo/CLO_0007622"},{"id":"T76","span":{"begin":188,"end":190},"obj":"http://purl.obolibrary.org/obo/CLO_0008491"},{"id":"T77","span":{"begin":204,"end":206},"obj":"http://purl.obolibrary.org/obo/CLO_0008491"},{"id":"T78","span":{"begin":338,"end":340},"obj":"http://purl.obolibrary.org/obo/CLO_0008491"}],"attributes":[{"subj":"T75","pred":"source","obj":"LitCovid-PD-CLO"},{"subj":"T76","pred":"source","obj":"LitCovid-PD-CLO"},{"subj":"T77","pred":"source","obj":"LitCovid-PD-CLO"},{"subj":"T78","pred":"source","obj":"LitCovid-PD-CLO"}]},{"project":"LitCovid-PD-CHEBI","denotations":[{"id":"T104","span":{"begin":28,"end":34},"obj":"Chemical"},{"id":"T105","span":{"begin":130,"end":132},"obj":"Chemical"}],"attributes":[{"id":"A104","pred":"chebi_id","subj":"T104","obj":"http://purl.obolibrary.org/obo/CHEBI_52214"},{"id":"A105","pred":"chebi_id","subj":"T105","obj":"http://purl.obolibrary.org/obo/CHEBI_74699"},{"subj":"T104","pred":"source","obj":"LitCovid-PD-CHEBI"},{"subj":"T105","pred":"source","obj":"LitCovid-PD-CHEBI"}]},{"project":"LitCovid-sentences","denotations":[{"id":"T58","span":{"begin":0,"end":341},"obj":"Sentence"}],"namespaces":[{"prefix":"_base","uri":"http://pubannotation.org/ontology/tao.owl#"}],"attributes":[{"subj":"T58","pred":"source","obj":"LitCovid-sentences"}]},{"project":"2_test","denotations":[{"id":"32405156-30236283-48151019","span":{"begin":53,"end":55},"obj":"30236283"},{"id":"T26528","span":{"begin":53,"end":55},"obj":"30236283"}],"attributes":[{"subj":"32405156-30236283-48151019","pred":"source","obj":"2_test"},{"subj":"T26528","pred":"source","obj":"2_test"}]}],"config":{"attribute types":[{"pred":"source","value type":"selection","values":[{"id":"LitCovid-PD-CLO","color":"#b1ec93","default":true},{"id":"LitCovid-PD-CHEBI","color":"#ec93cb"},{"id":"LitCovid-sentences","color":"#93e5ec"},{"id":"2_test","color":"#ecd893"}]}]}}