ELECT++: Faster conformational search me
β
Makino, Shingo; Kuntz, Irwin D.
π
Article
π
1998
π
John Wiley and Sons
π
English
β 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