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Solvation of Biomolecules by the Soft Sticky Dipole-Quadrupole-Octupole Water Model
The soft sticky dipole-quadrupole-octupole (SSDQO) potential energy function represents a water molecule by a single site with a van der Waals sphere and point multipoles. Previously, SSDQO was shown to give good properties for liquid water and solvation of simple ions and is faster than three point...
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| Main Authors: | , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado: |
2010
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| Assuntos: | |
| Acceso en liña: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2963461/ https://ncbi.nlm.nih.gov/pubmed/21031143 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.cplett.2009.12.089 |
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