The LabelHash algorithm for substructure matching |
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| Authors: | Mark Moll Drew H Bryant Lydia E Kavraki |
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| Affiliation: | 1.Department of Computer Science,Rice University,Houston,USA;2.Department of Bioengineering,Rice University,Houston,USA;3.Structural and Comp. Biology and Molec. Biophysics,Baylor College of Medicine,Houston,USA |
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| Abstract: | Background There is an increasing number of proteins with known structure but unknown function. Determining their function would have a significant impact on understanding diseases and designing new therapeutics. However, experimental protein function determination is expensive and very time-consuming. Computational methods can facilitate function determination by identifying proteins that have high structural and chemical similarity. |
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