An analytic potential energy function fo
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Chang-Liang Sun; Xiao-Nan Jiang; Chang-Sheng Wang
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Article
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2009
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John Wiley and Sons
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English
โ 511 KB
## Abstract An analytic potential energy function is proposed and applied to evaluate the amideโamide and amideโwater hydrogenโbonding interaction energies in peptides. The parameters in the analytic function are derived from fitting to the potential energy curves of 10 hydrogenโbonded training dim