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"Prediction of hydration free energies for the SAMPL4 diverse set of ..."
Oliver Beckstein, Anaïs Fourrier, Bogdan I. Iorga (2014)
- Oliver Beckstein
, Anaïs Fourrier, Bogdan I. Iorga
:
Prediction of hydration free energies for the SAMPL4 diverse set of compounds using molecular dynamics simulations with the OPLS-AA force field. J. Comput. Aided Mol. Des. 28(3): 265-276 (2014)
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