What role do surfaces play in GB models?
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Zhiyun Yu; Matthew P. Jacobson; Richard A. Friesner
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Article
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2005
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John Wiley and Sons
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English
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## Abstract We have developed a version of our surface generalized Born (SGB) model that employs a Gaussian surface, as opposed to the van der Waals surface used previously. The Gaussian surface is smooth and its properties are analytically differentiable with respect to the positions of atoms. A s