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Designing of 2,3-dihydrobenzofuran derivatives as inhibitors of PDE1B using pharmacophore screening, ensemble docking and molecular dynamics approach.
Mayasah Al-Nema
Anand Gaurav
Vannajan Sanghiran Lee
Published in:
Comput. Biol. Medicine (2023)
Keyphrases
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molecular dynamics
drug discovery
scientific data
partial differential equations
high performance computing
molecular dynamics simulations
higher order
level set
protein folding
hiv protease
training set
sensor networks
building blocks
fluid flow