A new algorithm, complementarity, is developed for conformational search of macrocyclic molecules. The algorithm scans a large number of candidate conformations and energy-minimizes only the promising ones. These candidates can be generated by two operators that construct new conformations from know
β¦ LIBER β¦
An analysis of current methodologies for conformational searching of complex molecules
β Scribed by Howard, Allison E.; Kollman, Peter A.
- Book ID
- 121431709
- Publisher
- American Chemical Society
- Year
- 1988
- Tongue
- English
- Weight
- 1023 KB
- Volume
- 31
- Category
- Article
- ISSN
- 0022-2623
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