Soft-core potentials in thermodynamic integration: Comparing one- and two-step transformations

Thomas Steinbrecher, InSuk Joung, David A. Case. Soft-core potentials in thermodynamic integration: Comparing one- and two-step transformations. Journal of Computational Chemistry, 32(15):3253-3263, 2011. [doi]

Authors

Thomas Steinbrecher

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InSuk Joung

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David A. Case

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