ELECT++: Faster conformational search me
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Makino, Shingo; Kuntz, Irwin D.
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Article
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1998
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John Wiley and Sons
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English
⚖ 575 KB
We have developed a program, ELECTqq Effective LEssening . of Conformations by Template molecules in Cqq , to speed up the conformational search for small flexible molecules using the similar property principle. We apply this principle to molecular shape and, importantly, to molecular flexibility. A