Simulating monovalent and divalent ions in aqueous solution using a drude polarizable force field

RIS ID

38759

Publication Details

Yu, H., Whitfield, T. W., Harder, E., Lamoureux, G., Vorobyov, I., Anisimov, V. M., MacKerell, Jr., A. D. & Roux, B. (2010). Simulating monovalent and divalent ions in aqueous solution using a drude polarizable force field. Journal of Chemical Theory and Computation, 6 (3), 774-786.

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Link to publisher version (DOI)

http://dx.doi.org/10.1021/ct900576a