Strike a balance: Optimization of backbo
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Zhi-Xiang Wang; Wei Zhang; Chun Wu; Hongxing Lei; Piotr Cieplak; Yong Duan
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Article
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2006
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John Wiley and Sons
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English
β 641 KB
## Abstract Based on the AMBER polarizable model (ff02), we have reoptimized the parameters related to the mainβchain (Ξ¦, Ξ¨) torsion angles by fitting to the Boltzmannβweighted average quantum mechanical (QM) energies of the important regions (i.e., Ξ², P~II~, Ξ±~R~, and Ξ±~L~ regions). Following the