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History
- January 30, 2017.
Copyright
The copyright holder for this preprint is the author/funder, who has granted bioRxiv a license to display the preprint in perpetuity. It is made available under a CC-BY 4.0 International license.
Author Information
- Guilherme Duarte Ramos Matos1†,
- Daisy Y. Kyu2‡,
- Hannes H. Loeffler3¶,
- John D. Chodera4§,
- Michael R. Shirts5‖ and
- David L. Mobley6,*┴
- 1Department of Chemistry, University of California, Irvine
- 2Department of Pharmaceutical Sciences, University of California, Irvine
- 3Scientific Computing Department, STFC, UK
- 4Computational and Systems Biology Program, Sloan Kettering Institute
- 5Department of Chemical and Biological Engineering, University of Colorado Boulder, Boulder
- 6Departments of Pharmaceutical Sciences and Chemistry, University of California, Irvine
- ↵*To whom correspondence should be addressed
Posted January 30, 2017.
Approaches for calculating solvation free energies and enthalpies demonstrated with an update of the FreeSolv database
