Direct calculation of 1-octanol-water partition coefficients from adaptive biasing force molecular dynamics simulations. [electronic resource]

By: Contributor(s): Producer: 20121113Description: 014502 p. digitalISSN:
  • 1089-7690
Subject(s): Online resources: In: The Journal of chemical physics vol. 137
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Publication Type: Journal Article; Research Support, Non-U.S. Gov't; Research Support, U.S. Gov't, Non-P.H.S.

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