The Normal-Mode Entropy in the MM/GBSA Method: Effect of System Truncation, Buffer Region, and Dielectric Constant

Samuel Genheden, Oliver Kuhn, Paulius Mikulskis, Daniel Hoffmann, Ulf Ryde. The Normal-Mode Entropy in the MM/GBSA Method: Effect of System Truncation, Buffer Region, and Dielectric Constant. Journal of Chemical Information and Computer Sciences, 52(8):2079-2088, 2012. [doi]

Authors

Samuel Genheden

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Oliver Kuhn

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Paulius Mikulskis

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Daniel Hoffmann

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Ulf Ryde

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