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» A fast indexing approach for protein structure comparison
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BMCBI
2007
128views more  BMCBI 2007»
13 years 7 months ago
A robust and efficient algorithm for the shape description of protein structures and its application in predicting ligand bindin
Background: An accurate description of protein shape derived from protein structure is necessary to establish an understanding of protein-ligand interactions, which in turn will l...
Lei Xie, Philip E. Bourne
CBMS
2006
IEEE
14 years 1 months ago
MS2DB: An Algorithmic Approach to Determine Disulfide Linkage Patterns
Determining the number and location of disulfide bonds within a protein provide valuable insight into the protein’s three-dimensional structure. Purely computational methods tha...
Timothy Lee, Rahul Singh, Ten-Yang Yen, Bruce Mach...
BMCBI
2010
98views more  BMCBI 2010»
13 years 7 months ago
An optimized TOPS+ comparison method for enhanced TOPS models
nd: Although methods based on highly abstract descriptions of protein structures, such as VAST and TOPS, can perform very fast protein structure comparison, the results can lack a...
Mallika Veeramalai, David Gilbert, Gabriel Valient...
BMCBI
2010
122views more  BMCBI 2010»
13 years 7 months ago
Fast and accurate protein substructure searching with simulated annealing and GPUs
Background: Searching a database of protein structures for matches to a query structure, or occurrences of a structural motif, is an important task in structural biology and bioin...
Alex Stivala, Peter J. Stuckey, Anthony Wirth
BMCBI
2008
142views more  BMCBI 2008»
13 years 7 months ago
Optimal neighborhood indexing for protein similarity search
Background: Similarity inference, one of the main bioinformatics tasks, has to face an exponential growth of the biological data. A classical approach used to cope with this data ...
Pierre Peterlongo, Laurent Noé, Dominique L...