PMC:7219429 / 7606-7947 JSONTXT

{"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"}],"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."}

{"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"}],"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."}

{"project":"LitCovid-sentences","denotations":[{"id":"T58","span":{"begin":0,"end":341},"obj":"Sentence"}],"namespaces":[{"prefix":"_base","uri":"http://pubannotation.org/ontology/tao.owl#"}],"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."}

{"project":"2_test","denotations":[{"id":"32405156-30236283-48151019","span":{"begin":53,"end":55},"obj":"30236283"},{"id":"T26528","span":{"begin":53,"end":55},"obj":"30236283"}],"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."}