YANK: GPU-accelerated calculation of ligand binding affinities in implicit and explicit solvent using alchemical free energy methodologies.
- John D. Chodera | jchodera@gmail.com
- Kyle A. Beauchamp | kyleabeauchamp@gmail.com
- Danny L. Parton | danny.parton@gmail.com
- Patrick B. Grinaway | pgrinaway@gmail.com
- Michael Shirts | mrshirts@gmail.com
- Imran Haque | ihaque@gmail.com
- Kim Branson | kim.branson@gmail.com
Documentation and examples can be found at getyank.org