The LabelHash algorithm for substructure matching.

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.

Results

We present LabelHash, a novel algorithm for matching substructural motifs to large collections of protein structures. The algorithm consists of two phases. In the first phase the proteins are preprocessed in a fashion that allows for instant lookup of partial matches to any motif. In the second phase, partial matches for a given motif a

SUBMITTER: Moll M 

PROVIDER: S-EPMC2996407 | biostudies-literature | 2010 Nov

REPOSITORIES: biostudies-literature