Copper Oxidation/Reduction in Water and Protein: Studies with DFTB3/MM and VALBOND Molecular Dynamics Simulations

TitleCopper Oxidation/Reduction in Water and Protein: Studies with DFTB3/MM and VALBOND Molecular Dynamics Simulations
Publication TypeJournal Article
Year of Publication2016
AuthorsJin, HY, Goyal, P, Das, AK, Gaus, M, Meuwly, M, Cui, Q
JournalJournal of Physical Chemistry B
Volume120
Pagination1894-1910
Date PublishedMar
ISBN Number1520-6106
DOI10.1021/acs.jpcb.5b09656