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Polarizable Atomic Multipole X-Ray Refinement: Hydration Geometry and Application to Macromolecules
We recently developed a polarizable atomic multipole refinement method assisted by the AMOEBA force field for macromolecular crystallography. Compared to standard refinement procedures, the method uses a more rigorous treatment of x-ray scattering and electrostatics that can significantly improve th...
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| Hoofdauteurs: | , , , |
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| Formaat: | Artigo |
| Taal: | Inglês |
| Gepubliceerd in: |
The Biophysical Society
2010
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| Onderwerpen: | |
| Online toegang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2884231/ https://ncbi.nlm.nih.gov/pubmed/20550911 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.bpj.2010.02.057 |
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