Derivation of fixed partial carges for amino acids accommodating a specific water model and implicit polarization
- David S. Cerutti
- Julia E. Rice
- et al.
- 2013
- Journal of Physical Chemistry B
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Alchemical prediction of hydration free energies for SAMPL
- David L. Mobley
- Shaui Liu
- et al.
- 2011
- J. Comput. Aided Mol. Des.