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BioMed Research International
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2017
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Article
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Tab 5
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Research Article
Computational Exploration for Lead Compounds That Can Reverse the Nuclear Morphology in Progeria
Table 5
HOMO, LUMO, and band gap of the Hits and the reference compounds computed employing the DFT approach.
Name
HOMO
(eV)
LUMO
(eV)
Band gap
(eV)
Reference
−0.163
−0.0547
0.108
Hit 1
−0.154
−0.095
0.058
Hit 2
−0.179
−0.1149
0.064
Lonafarnib
−0.182
−0.0766
0.105