Research Article
A Computational Study on Selected Alkaloids as SARS-CoV-2 Inhibitors: PASS Prediction, Molecular Docking, ADMET Analysis, DFT, and Molecular Dynamics Simulations
Figure 4
Frontier molecular orbitals diagram for HOMO and LUMO. The HOMO of L-1 (a), LUMO of L-1 (b), HOMO of L-16 (c), LUMO of L-16 (d), HOMO of remdesivir (e), and LUMO of remdesivir (f).
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