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» Sequence variation in ligand binding sites in proteins
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BIOCOMP
2008
15 years 1 months ago
Analysis of Protein-Ligand Interactions Using Localized Stereochemical Features
Computational analyses of protein structure-function relationships have traditionally been based on sequence homology, fold family analysis and 3D motifs/templates. Previous struct...
Reetal Pai, James C. Sacchettini, Thomas R. Ioerge...
BMCBI
2007
128views more  BMCBI 2007»
14 years 11 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
BMCBI
2007
134views more  BMCBI 2007»
14 years 12 months ago
Automatic generation of 3D motifs for classification of protein binding sites
Background: Since many of the new protein structures delivered by high-throughput processes do not have any known function, there is a need for structure-based prediction of prote...
Jean-Christophe Nebel, Pawel Herzyk, David R. Gilb...
BMCBI
2007
100views more  BMCBI 2007»
14 years 11 months ago
Discovering structural motifs using a structural alphabet: Application to magnesium-binding sites
Background: For many metalloproteins, sequence motifs characteristic of metal-binding sites have not been found or are so short that they would not be expected to be metal-specifi...
Minko Dudev, Carmay Lim
BMCBI
2005
118views more  BMCBI 2005»
14 years 11 months ago
Variation in structural location and amino acid conservation of functional sites in protein domain families
Background: The functional sites of a protein present important information for determining its cellular function and are fundamental in drug design. Accordingly, accurate methods...
Birgit Pils, Richard R. Copley, Jörg Schultz