Conformational analyses of periplanone analogs by molecular mechanics calculations
✍ Scribed by Kazuko Shimazaki; Masataka Mori; Kentaro Okada; Tatsuji Chuman; Hitoshi Goto; Eiji Ōsawa; Kazuhisa Sakakibara; Minoru Hirota
- Book ID
- 105029474
- Publisher
- Springer
- Year
- 1991
- Tongue
- English
- Weight
- 542 KB
- Volume
- 17
- Category
- Article
- ISSN
- 0098-0331
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
Following the publication of a comparison of several molecular w Ž .x mechanics methods Gundertofte et al., J. Comput. Chem. 17, 429 1996 , we have expanded the set of force fields tested by examining CHARMm 23.0 with Ž . its associated parameter set version 22.0 relative to the gas-phase data used
Conformational energies for inulobiose [beta-D-fructofuranosyl-(2----1)-beta-D-fructofuranoside], a model for inulin, were computed with the molecular mechanics program MMP2(85). The torsion angles of the three linkage bonds were driven in 20 degree increments, and the steric energy of all other par