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λ-Meta Dynamics Approach To Compute Absolute Solvation Free Energy

Pan Wu1, Xiangqian Hu, Weitao Yang

  • 1Department of Chemistry, Duke University, 27708.

The Journal of Physical Chemistry Letters
|May 17, 2013
PubMed

Keywords:
Meta-dynamicsQM/MMsolvation free energyλ dynamicsλ-meta dynamics

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