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- Eisenhaber, F.; Schulz, W.
- Biopolymers 1992 v.32 no.12 pp. 1643-1664
- amylose; molecular conformation; water; simulation models; Monte Carlo method
- ... The conformation of double-helical amylose is influenced by its water environment [A. Imberty, H. Chanzy, S. Perez, A. Buleon, and V. Tran (1988) Journal of Molecular Biology, Vol. 201, pp. 365-378; A. Imberty and S. Perez (1988) Biopolymers, Vol. 27, 1205-1221]. For several low-energy conformations of left-handed amylose double helices, we performed Monte Carlo simulations of the (N, V, T)-ensemb ...
- Arteca, G.A.; Mezey, P.G.
- Biopolymers 1992 v.32 no.12 pp. 1609-1621
- proteins; molecular conformation; simulation models; equations; protein secondary structure
- ... In this work we present a new method to characterize the shape of flexible chain molecules. The procedure associates a sphere and a spherical shape map with each given molecular backbone. Each point on the sphere is classified according to the crossing pattern obtained when the backbone is looked at along a direction defined by the center of the sphere and the chosen point. The approach is simple ...