Efficient algorithm for conformational s
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Wang, Cheuk-San
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Article
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1997
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John Wiley and Sons
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English
β 345 KB
π 2 views
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