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BMCBI
2008
117views more  BMCBI 2008»
13 years 6 months ago
An iterative block-shifting approach to retention time alignment that preserves the shape and area of gas chromatography-mass sp
Background: Metabolomics, petroleum and biodiesel chemistry, biomarker discovery, and other fields which rely on high-resolution profiling of complex chemical mixtures generate da...
Minho Chae, Robert J. Shmookler Reis, John J. Thad...
BMCBI
2008
85views more  BMCBI 2008»
13 years 6 months ago
Wanted: unique names for unique atom positions. PDB-wide analysis of diastereotopic atom names of small molecules containing dip
Background: Biological chemistry is very stereospecific. Nonetheless, the diastereotopic oxygen atoms of diphosphate-containing molecules in the Protein Data Bank (PDB) are often ...
Christopher A. Bottoms, Dong Xu
CORR
2010
Springer
208views Education» more  CORR 2010»
13 years 6 months ago
Discovering potential user browsing behaviors using custom-built apriori algorithm
Most of the organizations put information on the web because they want it to be seen by the world. Their goal is to have visitors come to the site, feel comfortable and stay a whi...
Sandeep Singh Rawat, Lakshmi Rajamani
BMCBI
2006
101views more  BMCBI 2006»
13 years 6 months ago
SuperMimic - Fitting peptide mimetics into protein structures
Background: Various experimental techniques yield peptides that are biologically active but have unfavourable pharmacological properties. The design of structurally similar organi...
Andrean Goede, Elke Michalsky, Ulrike Schmidt, Rob...
BMCBI
2006
135views more  BMCBI 2006»
13 years 6 months ago
Correcting ligands, metabolites, and pathways
Background: A wide range of research areas in bioinformatics, molecular biology and medicinal chemistry require precise chemical structure information about molecules and reaction...
Martin A. Ott, Gert Vriend