Integrated ESI-MS/EPR/computational characterization of the binding of metal species to proteins: vanadium drug–myoglobin application
2019 ◽
Vol 6
(6)
◽
pp. 1561-1578
◽
An integrated strategy based on ESI-MS spectrometry, EPR spectroscopy and docking/QM computational methods is applied to the systems formed by VIVO2+ ions and four potential VIVOL2 drugs and myoglobin. This approach is generizable to other metals and proteins.