Articles with "simulations folding" as a keyword



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Folding Dynamics of 3,4,3-LI(1,2-HOPO) in Its Free and Bound State with U4+ Implicated by MD Simulations

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Published in 2022 at "Molecules"

DOI: 10.3390/molecules27238151

Abstract: The octadentate hydroxypyridonate ligand 3,4,3-LI(1,2-HOPO) (t-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… read more here.

Keywords: hopo free; state; folding dynamics; dynamics hopo ... See more keywords