PMC:7784834 / 13277-13467 JSONTXT

{"project":"LitCovid-PubTator","denotations":[{"id":"214","span":{"begin":126,"end":131},"obj":"Chemical"}],"attributes":[{"id":"A214","pred":"tao:has_database_id","subj":"214","obj":"MESH:D014867"}],"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":"rposed drug, rutin. All the four MD simulations were executed through GROMACS v5.0 under the force field GROMOS96 54a7 having water model SPC216 along with the time step of 1 fs for 100 ns ("}