Probing polyoxometalate-protein interactions using molecular dynamics simulations

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Probing polyoxometalate-protein interactions using molecular dynamics simulations

The molecular interactions between the Ce(IV)-substituted Keggin anion [PW11O39Ce(OH2)4]3- (CeK) and hen egg white lysozyme (HEWL), was investigated by molecular dynamics (MD) simulations. We compared the analysis of CeK with the Ce(IV)-substituted Keggin dimer [(PW11O39)2Ce]10- (CeK2) and the Zr(I...

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Bibliographic Details
Main Authors:	Solé-Daura, Albert, Goovaerts, Vincent, Stroobants, Karen, Absillis, Gregory, Jiménez-Lozano, Pablo, Poblet, Josep M., Hirst, J.D., Parac-Vogt, Tatjana, Carbó, Jorge J.
Format:	Article
Published:	Wiley-VCH Verlag 2016
Online Access:	https://eprints.nottingham.ac.uk/35607/

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