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| Untersuchte Arbeit: Seite: 80, Zeilen: 1-5 (entire page except figure) |
Quelle: Anézo 2003 Seite(n): 171, Zeilen: 171:8-9, 11-15 |
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| [These profiles are compared to those obtained from] the non-equilibrium MD simulations in Figure 3.9 and 3.10. Good agreement is found between both methods.
Validation of the calculated free energy barriers is not possible, since no experimental data about solute partitioning at water/membrane interfaces is available from the literature. |
These profiles are compared to those obtained from the umbrella sampling simulations in Figure 5.19. A good agreement is generally found between both methods. [...]
Validation of the calculated free energy barriers is difficult, since few experimental data about solute partitioning at water/membrane interfaces are available from the literature. Recently, water/dodecane partition coefficients have been determined by Bas et al. [218], using the shake flask method, for a series of drug and drug-like molecules, including α-D-glucose. [218] D. Bas, D. Dorison-Duval, S. Moreau, P. Bruneau, and C. Chipot. J. Med. Chem., 45:151–159, 2002. |
No source is given. Similar but not identical figures follow this text (Ry: 3.9, Anézo: 5.19). |
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