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Multiple flexible structure alignment using partial order graphs

✍ Scribed by Ye, Y.; Godzik, A.

Book ID
119970780
Publisher
Oxford University Press
Year
2005
Tongue
English
Weight
769 KB
Volume
21
Category
Article
ISSN
1367-4803

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## Abstract A framework for superimposing small molecules is presented. The proposed method consists of a simple atom‐based, flexible alignment. The optimization procedure used in the alignment is based on a recently published variant of the simulated annealing whereby nonlinear constraints are acc