Predictions of free energy differences from a single simulation of the initial state
- 1 January 1994
- journal article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 100 (1) , 577-585
- https://doi.org/10.1063/1.466975
Abstract
No abstract availableKeywords
This publication has 13 references indexed in Scilit:
- Computational AlchemyAnnual Review of Physical Chemistry, 1992
- Gaussian fluctuation formula for electrostatic free-energy changes in solutionThe Journal of Chemical Physics, 1991
- The overlooked bond-stretching contribution in free energy perturbation calculationsThe Journal of Chemical Physics, 1991
- Convergence of the Chemical Potential in Aqueous simulationsMolecular Simulation, 1991
- Free energy difference calculations by thermodynamic integration: Difficulties in obtaining a precise valueJournal of Computational Chemistry, 1991
- The missing term in effective pair potentialsThe Journal of Physical Chemistry, 1987
- Free Energy SimulationsaAnnals of the New York Academy of Sciences, 1986
- What is "liquid"? Understanding the states of matterReviews of Modern Physics, 1976
- High-Temperature Equation of State by a Perturbation Method. I. Nonpolar GasesThe Journal of Chemical Physics, 1954
- Statistical Mechanics of Fluid MixturesThe Journal of Chemical Physics, 1935