## Abstract We investigate the relative efficiency of thermodynamic integration, three variants of the exponential formula, also referred to as thermodynamic perturbation, and Bennett's acceptance ratio method to compute relative and absolute solvation free energy differences. Our primary goal is t
β¦ LIBER β¦
Comparison of thermodynamic integration and Bennett acceptance ratio for calculating relative protein-ligand binding free energies
β Scribed by de Ruiter, Anita; Boresch, Stefan; Oostenbrink, Chris
- Book ID
- 118276644
- Publisher
- John Wiley and Sons
- Year
- 2013
- Tongue
- English
- Weight
- 749 KB
- Volume
- 34
- Category
- Article
- ISSN
- 0192-8651
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