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Development and Application of a Nonbonded Cu(2+) Model That Includes the Jahn–Teller Effect
[Image: see text] Metal ions are both ubiquitous to and crucial in biology. In classical simulations, they are typically described as simple van der Waals spheres, making it difficult to provide reliable force field descriptions for them. An alternative is given by nonbonded dummy models, in which t...
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| Publicado no: | J Phys Chem Lett |
|---|---|
| Main Authors: | , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
American Chemical
Society
2015
|
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4493862/ https://ncbi.nlm.nih.gov/pubmed/26167255 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jpclett.5b01122 |
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