scholarly journals Alkali and alkaline earth metal ion binding by a foldamer capsule: selective recognition of magnesium hydrate

2017 ◽  
Vol 53 (67) ◽  
pp. 9300-9303 ◽  
Author(s):  
Pedro Mateus ◽  
Barbara Wicher ◽  
Yann Ferrand ◽  
Ivan Huc
Keyword(s):  
Metal Ions ◽  
Metal Ion ◽  
Alkaline Earth ◽  
Earth Metal ◽  
Selective Recognition ◽  
Alkaline Earth Metal ◽  
Ion Binding ◽  
Metal Ion Binding

A foldamer capsule selectively recognizes some metal ions solely through second-sphere coordination.

The influence of metal-ion binding on the structure and surface composition of Sonic Hedgehog: a combined classical and hybrid QM/MM MD study

2016 ◽  
Vol 18 (32) ◽  
pp. 22254-22265 ◽  
Author(s):  
Manuel Hitzenberger ◽  
Thomas S. Hofer
Keyword(s):  
Metal Ions ◽  
Sonic Hedgehog ◽  
Binding Sites ◽  
Metal Ion ◽  
Surface Composition ◽  
Quantum Mechanical ◽  
Ion Binding ◽  
Metal Ion Binding ◽  
Structural Impact

The interaction of metal ions with Shh binding-sites and their structural impact are assessed via classical and quantum mechanical simulations.

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