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Surflex: Fully Automatic Flexible Molecular Docking Using a Molecular Similarity-Based Search Engine

✍ Scribed by Jain, Ajay N.


Book ID
115449069
Publisher
American Chemical Society
Year
2003
Tongue
English
Weight
431 KB
Volume
46
Category
Article
ISSN
0022-2623

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✍ Makino, Shingo; Kuntz, Irwin D. πŸ“‚ Article πŸ“… 1998 πŸ› John Wiley and Sons 🌐 English βš– 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