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PMC:7755033 / 22639-23303 JSONTXT

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LitCovid-PubTator

Id Subject Object Predicate Lexical cue tao:has_database_id
439 68-72 Gene denotes ACE2 Gene:59272
440 62-67 Species denotes human Tax:9606
441 83-91 Species denotes SARS-CoV Tax:694009
442 96-106 Species denotes SARS-CoV-2 Tax:2697049
443 51-53 Species denotes WS Tax:126910

LitCovid-sentences

Id Subject Object Predicate Lexical cue
T201 0-261 Sentence denotes Molecular docking of selected phytoconstituents of WS against human ACE2 receptor, SARS-CoV and SARS-CoV-2 target proteins was performed using AutoDock 4.0/ADT version 4.2.6 program (Morris et al., 1998) and further validated using two additional softwares viz.
T202 262-384 Sentence denotes AutoDock vina and iGEMDOCK version 2.1 in order to investigate binding kinetics and binding modes to the refined proteins.
T203 385-485 Sentence denotes Grid spacing was set at 0.375 Å and the grid points in the X, Y and Z axes were set to 60 × 60 × 60.
T204 486-664 Sentence denotes The quest was based on the Lamarckian genetic algorithm (Miyamoto & Kollman, 1992; Oprea et al., 2001) and the binding energies of the results were subjected to further analysis.