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Keywords: Molecular dynamics simulation
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Journal Articles
Journal:
Biology Open
Biol Open (2020) 9 (10): bio054056.
Published: 15 October 2020
... at the interface of RBD-hACE2 interaction. In silico screening, molecular mechanics and molecular dynamics simulation (MDS) analysis suggest ribavirin, ascorbate, lopinavir and hydroxychloroquine have strong interaction at the RBD-hACE2 interface. These four molecules were used for de novo fragment-based antiviral...
Includes: Supplementary data