PMC:5056895 / 10397-10969 JSONTXT

{"target":"https://pubannotation.org/docs/sourcedb/PMC/sourceid/5056895","sourcedb":"PMC","sourceid":"5056895","source_url":"https://www.ncbi.nlm.nih.gov/pmc/5056895","text":"Virtual screening\nVirtual screening is now well-known as an efficient prototype for filtering compounds for drug discovery. It was carried out using PyRx 0.8 (Virtual Screening Tools). All the drug-like compounds retrieved from ZINC database in SDF format in a single file. The SDF file was imported in open babel of PyRx and further energy minimization of all the ligands were performed followed by conversion of all the ligands into AutoDock PDBQT format. Further, these ligands were subjected to docking against NS3 protein of ZIKV using AutoDock Vina in PyRx 0.8 [26].","divisions":[{"label":"Title","span":{"begin":0,"end":17}}],"tracks":[{"project":"2_test","denotations":[{"id":"27729840-19499576-44841866","span":{"begin":568,"end":570},"obj":"19499576"}],"attributes":[{"subj":"27729840-19499576-44841866","pred":"source","obj":"2_test"}]}],"config":{"attribute types":[{"pred":"source","value type":"selection","values":[{"id":"2_test","color":"#93eca8","default":true}]}]}}