摘要
The local maxima of water density in the space near the single-helical of Konjac glucomannan as well as the dominant conformation of the system was studied by molecular dyna-mics under the water environment. The results indicate that the hydration shell,potential energy,and its hydrogen bond network with water bridges of the left-handed single-helix conformation was favored compared to those of right-handed single-helix conformation. This work suggests that the left-handed single-helix conformation was the dominant conformation of KGM in the water environment.
The local maxima of water density in the space near the single-helical of Konjac glucomannan as well as the dominant conformation of the system was studied by molecular dyna-mics under the water environment. The results indicate that the hydration shell,potential energy,and its hydrogen bond network with water bridges of the left-handed single-helix conformation was favored compared to those of right-handed single-helix conformation. This work suggests that the left-handed single-helix conformation was the dominant conformation of KGM in the water environment.
基金
supported by the National Natural Science Foundation of China (30871749,30901004,31071518)
Natural Science Foundation of Fujian Province (2009J01061)