Pronounced conformational flexibility of physiological (l-histidinato)(l-threoninato)copper(II) in aqueous solution disclosed by a quantum chemical study
Keywords: DFT; density functional theory; Cu(aa)2; bis(amino acidato) copper(II); Cu(l-His)2; bis(l-histidinato)copper(II); Cu(l-His)(l-Thr); (l-histidinato)(l-threoninato)copper(II); Cu(l-Thr)2; bis(l-threoninato)copper(II); Cu(l-aThr)2; bis(l-allo-threoninato)cop