Absolute hydration free energy scale for alkali and halide ions established from simulations with a polarizable force field.
Lamoureux G, Roux B.
Lamoureux G, et al. Among authors: roux b.
J Phys Chem B. 2006 Feb 23;110(7):3308-22. doi: 10.1021/jp056043p.
J Phys Chem B. 2006.
PMID: 16494345
A polarizable potential function for the hydration of alkali and halide ions is developed on the basis of the recent SWM4-DP water model [Lamoureux, G.; MacKerell, A. D., Jr.; Roux, B. J. Chem. Phys. 2003, 119, 5185]. Induced polarization is incorporated using class …
A polarizable potential function for the hydration of alkali and halide ions is developed on the basis of the recent SWM4-DP water model [La …