Combined quantum mechanics and molecular mechanics simulation of Ca2+/ammonia solution based on the ONIOM-XS method: Octahedral coordination and implication to biology
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.1566733
Reference36 articles.
1. Calcium Ion Coordination: A Comparison with That of Beryllium, Magnesium, and Zinc
2. Structural characteristics of protein binding sites for calcium and lanthanide ions
3. Metal Activation of Enzymes in Nucleic Acid Biochemistry
4. X-ray diffraction study of calcium(II) chloride hydrate melts: CaCl2.cntdot.RH2O (R = 4.0, 5.6, 6.0, and 8.6)
5. Hydration of the Calcium Ion. An EXAFS, Large-Angle X-ray Scattering, and Molecular Dynamics Simulation Study
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