Overlap perturbation methods for computing alchemical free energy changes: variants, generalizations and evaluations
Author:
Publisher
Informa UK Limited
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Molecular Biology,Biophysics
Link
http://www.tandfonline.com/doi/pdf/10.1080/00268970310001644603
Reference37 articles.
1. Free Energy Via Molecular Simulation: Applications to Chemical and Biomolecular Systems
2. Ligand-receptor interactions
3. Statistical Mechanical Theory of Transport Processes. VII. The Coefficient of Thermal Conductivity of Monatomic Liquids
4. Nonequilibrium Equality for Free Energy Differences
5. Statistical Mechanics of Fluid Mixtures
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