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» LIGAND: chemical database of enzyme reactions
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BMCBI
2010
86views more  BMCBI 2010»
13 years 8 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
113views more  BMCBI 2010»
13 years 8 months ago
Use of historic metabolic biotransformation data as a means of anticipating metabolic sites using MetaPrint2D and Bioclipse
Background: Predicting metabolic sites is important in the drug discovery process to aid in rapid compound optimisation. No interactive tool exists and most of the useful tools ar...
Lars Carlsson, Ola Spjuth, Samuel Adams, Robert C....
BMCBI
2010
149views more  BMCBI 2010»
13 years 8 months ago
KID - an algorithm for fast and efficient text mining used to automatically generate a database containing kinetic information o
Background: The amount of available biological information is rapidly increasing and the focus of biological research has moved from single components to networks and even larger ...
Stephanie Heinen, Bernhard Thielen, Dietmar Schomb...
BMCBI
2007
80views more  BMCBI 2007»
13 years 8 months ago
A network perspective on the topological importance of enzymes and their phylogenetic conservation
Background: A metabolic network is the sum of all chemical transformations or reactions in the cell, with the metabolites being interconnected by enzyme-catalyzed reactions. Many ...
Wei-chung Liu, Wen-hsien Lin, Andrew J. Davis, Fer...
JIB
2006
106views more  JIB 2006»
13 years 8 months ago
A structural keystone for drug design
3D-structures of proteins and potential ligands are the cornerstones of rational drug design. The first brick to build upon is selecting a protein target and finding out whether b...
Kristian Rother, Mathias Dunkel, Elke Michalsky, S...