Identification of novel TMPRSS2 inhibitors for COVID-19 using e-pharmacophore modelling, molecular docking, molecular dynamics and quantum mechanics studies
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Graphical abstract
Keywords
SARS-CoV-2
TMPRSS2
Homology modeling
e-pharmacophore mapping and screening
Docking
Molecular dynamics
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Authors contributed equally.
© 2021 The Author(s). Published by Elsevier Ltd.