Calculation of the Free Energy Profile of H2O, O2, CO, CO2, NO, and CHCl3 in a Lipid Bilayer with a Cavity Insertion Variant of the Widom Method
- 1 May 2000
- journal article
- Published by American Chemical Society (ACS) in Journal of the American Chemical Society
- Vol. 122 (21) , 5125-5131
- https://doi.org/10.1021/ja000156z
Abstract
No abstract availableThis publication has 23 references indexed in Scilit:
- Excess chemical potential of small solutes across water–membrane and water–hexane interfacesThe Journal of Chemical Physics, 1996
- Mechanism of Solute Diffusion through Lipid Bilayer Membranes by Molecular Dynamics SimulationJournal of the American Chemical Society, 1995
- Molecular design of polymer membranes using molecular simulation techniqueFluid Phase Equilibria, 1995
- Computational AlchemyAnnual Review of Physical Chemistry, 1992
- Polynomial path for the calculation of liquid state free energies from computer simulations tested on liquid waterJournal of Computational Chemistry, 1992
- Grand-canonical ensemble Monte Carlo study of dense liquidMolecular Physics, 1987
- Free Energy SimulationsaAnnals of the New York Academy of Sciences, 1986
- Comparison of simple potential functions for simulating liquid waterThe Journal of Chemical Physics, 1983
- Some Topics in the Theory of FluidsThe Journal of Chemical Physics, 1963
- High-Temperature Equation of State by a Perturbation Method. I. Nonpolar GasesThe Journal of Chemical Physics, 1954