Folding Dynamics of 3,4,3-LI(1,2-HOPO) in Its Free and Bound State with U<sup>4+</sup> Implicated by MD Simulations
The octadentate hydroxypyridonate ligand 3,4,3-LI(1,2-HOPO) (<i>t</i>-HOPO) shows strong binding affinity with actinide cations and is considered as a promising decorporation agent used to eliminate in vivo actinides, while its dynamics in its unbound and bound states in the condensed ph...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2022-11-01
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| Series: | Molecules |
| Subjects: | |
| Online Access: | https://www.mdpi.com/1420-3049/27/23/8151 |