Exploring Structure and Dynamics of the Diaquotriamminezinc(II) Complex by QM/MM MD Simulation-Reference-Cited by-同舟云学术

Exploring Structure and Dynamics of the Diaquotriamminezinc(II) Complex by QM/MM MD Simulation

Published:2008-05-01 Issue:18 Volume:112 Page:5788-5794
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. HEJ Research Institute of Chemistry, International Center for Chemical and Biological Sciences, University of Karachi, Karachi-75270, Pakistan, and 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/jp710270z

Reference51 articles.

1. Pentacoordinate zinc complexes of imidazole nitrogen donors as structural models for the active site in enzymes: preparation and crystal structures of (.mu.-2,2'-biimidazole)tetrakis(2,2'-biimidazole)dizinc(II) tetraperchlorate trihydrate and bis(2,2'-biimidazole)(formato)zinc(II) perchlorate

2. A pre-transition-state mimic of an enzyme: x-ray structure of adenosine deaminase with bound 1-deazaadenosine and zinc-activated water

3. Implications of the three-dimensional structure of astacin for the structure and function of the astacin family of zinc-endopeptidases

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