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Interaction Energies in Complexes of Zn and Amino Acids: A Comparison of Ab Initio and Force Field Based Calculations

  • Published:2017-03-24 Issue:13 Volume:121 Page:2643-2654
  • ISSN:1089-5639
  • Container-title:The Journal of Physical Chemistry A
  • language:en
  • Short-container-title:J. Phys. Chem. A

Author:

Ahlstrand Emma12,Hermansson Kersti3,Friedman Ran12ORCID

Affiliation:

1. Department of Chemistry and Biomedical Sciences, Linnæus University, 391 82 Kalmar, Sweden

2. Linnæus University Centre for Biomaterials Chemistry, 391 82 Kalmar, Sweden

3. Department of Chemistry, Ångström Laboratory, Uppsala University, Box 538, 751 21 Uppsala, Sweden

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Cited by 24 articles. 订阅此论文施引文献 订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. QM/MM-Based Energy Decomposition Analysis Method for Large Systems;The Journal of Physical Chemistry A;2024-04-30

2. Thermodynamics of Metal–Acetate Interactions;The Journal of Physical Chemistry B;2024-01-16

3. DP/MM: A Hybrid Model for Zinc–Protein Interactions in Molecular Dynamics;The Journal of Physical Chemistry Letters;2024-01-10

4. Development of a Fluctuating Charge Model for Zinc-Containing Metalloproteins;Journal of Chemical Information and Modeling;2024-01-10

5. DP/MM: A Hybrid Model for Zinc-Protein Interactions in Molecular Dynamics;2023-10-02
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