Prediction of Ordered Water Molecules in Protein Binding Sites from Molecular Dynamics Simulations: The Impact of Ligand Binding on Hydration Networks - researchr publication

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Axel Rudling, Adolfo Orro, Jens Carlsson. Prediction of Ordered Water Molecules in Protein Binding Sites from Molecular Dynamics Simulations: The Impact of Ligand Binding on Hydration Networks. Journal of Chemical Information and Computer Sciences, 58(2):350-361, 2018. [doi]

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