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Supporting files: Approaches for calculating solvation free energies and enthalpies demonstrated with an update of the FreeSolv database

  • Author(s): Duarte Ramos Matos, Guilherme
  • Mobley, David L
  • et al.
No data is associated with this publication.
Creative Commons 'BY' version 4.0 license
Abstract

This provides input files, results, and raw energy data associated with the v0.5 update of the FreeSolv database of hydration free energies.

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FreeSolv_paper.tar.gz

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