Multipole electrostatics in hydration fr
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Yue Shi; Chuanjie Wu; Jay W. Ponder; Pengyu Ren
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Article
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2010
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John Wiley and Sons
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English
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## Abstract Hydration free energy (HFE) is generally used for evaluating molecular solubility, which is an important property for pharmaceutical and chemical engineering processes. Accurately predicting HFE is also recognized as one fundamental capability of molecular mechanics force field. Here, w