Stability of Different Zinc(II)−Diamine Complexes in Aqueous Solution with Respect to Structure and Dynamics: A QM/MM MD Study-Reference-Cited by-同舟云学术

Stability of Different Zinc(II)−Diamine Complexes in Aqueous Solution with Respect to Structure and Dynamics: A QM/MM MD Study

Published:2006-12-10 Issue:1 Volume:111 Page:151-158
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Fatmi M. Qaiser¹,Hofer Thomas S.¹,Randolf Bernhard R.¹,Rode Bernd M.¹

Affiliation:

1. Theoretical Chemistry Division, Institute of General, Inorganic and Theoretical Chemistry, University of Innsbruck, Innrain 52a, A-6020 Innsbruck, Austria

Publisher

American Chemical Society (ACS)

Subject

Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp0654213

Reference46 articles.

1. Model studies of metalloenzymes involving metal ions as Lewis acid catalysts

2. Function and Mechanism of Zinc Metalloenzymes

3. Modeling zinc in biomolecules with the self consistent charge-density functional tight binding (SCC-DFTB) method: Applications to structural and energetic analysis

4. pKa of zinc-bound water and nucleophilicity of hydroxo-containing species. Ab initio calculations on models for zinc enzymes

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