Discovery of novel TMPRSS2 inhibitors for COVID-19 using in silico fragment-based drug design, molecular docking, molecular dynamics, and quantum mechanics studies
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open access
Keywords
SARS-CoV-2
TMPRSS2
Fragment-based drug design
Homology modeling
Docking
Molecular dynamics
Quantum mechanics
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Authors contributed equally.
© 2022 The Authors. Published by Elsevier Ltd.