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BMCBI
2010
188views more  BMCBI 2010»
13 years 9 months ago
CDK-Taverna: an open workflow environment for cheminformatics
Background: Small molecules are of increasing interest for bioinformatics in areas such as metabolomics and drug discovery. The recent release of large open access chemistry datab...
Thomas Kuhn, Egon L. Willighagen, Achim Zielesny, ...
BMCBI
2010
106views more  BMCBI 2010»
13 years 9 months ago
Predicting MHC class I epitopes in large datasets
Background: Experimental screening of large sets of peptides with respect to their MHC binding capabilities is still very demanding due to the large number of possible peptide seq...
Kirsten Roomp, Iris Antes, Thomas Lengauer
BMCBI
2010
125views more  BMCBI 2010»
13 years 9 months ago
Large-scale prediction of protein-protein interactions from structures
Background: The prediction of protein-protein interactions is an important step toward the elucidation of protein functions and the understanding of the molecular mechanisms insid...
Martial Hue, Michael Riffle, Jean-Philippe Vert, W...
BMCBI
2010
86views more  BMCBI 2010»
13 years 9 months ago
Reaction graph kernels predict EC numbers of unknown enzymatic reactions in plant secondary metabolism
Background: Understanding of secondary metabolic pathway in plant is essential for finding druggable candidate enzymes. However, there are many enzymes whose functions are not yet...
Hiroto Saigo, Masahiro Hattori, Hisashi Kashima, K...
BMCBI
2010
122views more  BMCBI 2010»
13 years 9 months ago
An automated framework for understanding structural variations in the binding grooves of MHC class II molecules
Background: MHC/HLA class II molecules are important components of the immune system and play a critical role in processes such as phagocytosis. Understanding peptide recognition ...
Kalidas Yeturu, Tapani Utriainen, Graham J. L. Kem...
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