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Using diffusion distances for flexible molecular shape comparison

BACKGROUND: Many molecules are flexible and undergo significant shape deformation as part of their function, and yet most existing molecular shape comparison (MSC) methods treat them as rigid bodies, which may lead to incorrect shape recognition. RESULTS: In this paper, we present a new shape descri...

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Main Authors: Liu, Yu-Shen, Li, Qi, Zheng, Guo-Qin, Ramani, Karthik, Benjamin, William
Format: Artigo
Jezik:Inglês
Izdano: BioMed Central 2010
Teme:
Online dostop:https://ncbi.nlm.nih.gov/pmc/articles/PMC2949899/
https://ncbi.nlm.nih.gov/pubmed/20868474
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/1471-2105-11-480
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