Conformation of polyols in water. Molecular-dynamics simulation of mannitol and sorbitol
β Scribed by Grigera, J. Raul
- Book ID
- 121506398
- Publisher
- The Royal Society of Chemistry
- Year
- 1988
- Weight
- 379 KB
- Volume
- 84
- Category
- Article
- ISSN
- 0300-9589
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π SIMILAR VOLUMES
The conformational behavior of cellobiose was studied by molecular dynamics simulation in a periodic box of waters. Several different initial conformations were used and the results compared with equivalent vacuum simulations. The average positions and rms fluctuations within single torsional confor
A significant fraction of the socalled ''random coil'' residues in globular proteins exists in the left-handed poly(Pro)II conformation. In order to compare the behavior of this secondary structure with that of the other regular secondary structures, molecular dynamics simulations, with the GROMOS s