# Shaui Liu

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- David L. Mobley, Shaui Liu, David S. Cerutti, William C. Swope, Julia E. Rice
- Journal of Computer-Aided Molecular Design
- 2012

Hydration free energy calculations have become important tests of force fields. Alchemical free energy calculations based on molecular dynamics simulations provide a rigorous way to calculate these free energies for a particular force field, given sufficient sampling. Here, we report results of alchemical hydration free energy calculations for the set of… (More)

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