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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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Autors principals: Te, Jerez A., Tan, Ming-Liang, Ichiye, Toshiko
Format: Artigo
Idioma:Inglês
Publicat: 2010
Matèries:
Accés en línia: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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