Rapid approximate calculation of water binding free energies in the whole hydration domain of (bio)macromolecules

Maria M. Reif, Martin Zacharias. Rapid approximate calculation of water binding free energies in the whole hydration domain of (bio)macromolecules. Journal of Computational Chemistry, 37(18):1711-1724, 2016. [doi]

Authors

Maria M. Reif

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Martin Zacharias

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