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Comment on Molecular Dynamics Simulations of Zinc Ions in Water Using CHARMM"

✍ Scribed by Stefan Obst; Roland H. Stote


Book ID
106240762
Publisher
Springer-Verlag
Year
1998
Tongue
English
Weight
41 KB
Volume
4
Category
Article
ISSN
1610-2940

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Water-Exchange Mechanism for Zinc(II), C
✍ Yasuhiro Inada; Ahmed M. Mohammed; Hannes H. Loeffler; Shigenobu Funahashi 📂 Article 📅 2005 🏛 John Wiley and Sons 🌐 German ⚖ 95 KB

## Abstract Umbrella‐sampling molecular‐dynamics simulations were performed to investigate the water‐exchange reactions of zinc(II), cadmium(II), and mercury(II) ions in aqueous solution. The dissociation of a coordinating water molecule to the MO distance at 3.34, 3.16, and 3.26 Å for Zn^II^, Cd^