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COMPGEOM
2003
ACM
14 years 2 months ago
Molecular shape analysis based upon the morse-smale complex and the connolly function
Docking is the process by which two or several molecules form a complex. Docking involves the geometry of the molecular surfaces, as well as chemical and energetical consideration...
Frédéric Cazals, Frédé...
EDBT
2009
ACM
277views Database» more  EDBT 2009»
14 years 1 months ago
G-hash: towards fast kernel-based similarity search in large graph databases
Structured data including sets, sequences, trees and graphs, pose significant challenges to fundamental aspects of data management such as efficient storage, indexing, and simila...
Xiaohong Wang, Aaron M. Smalter, Jun Huan, Gerald ...
VISSYM
2007
13 years 11 months ago
Parametric Visualization of High Resolution Correlated Multi-spectral Features Using PCA
An imaging mass spectrometer is an analytical instrument that can determine the spatial distribution of chemical compounds on complex surfaces. The output of the device is a multi...
Alexander Broersen, Robert van Liere, Ron M. A. He...
FOIS
2006
13 years 10 months ago
Modular Ontology Design Using Canonical Building Blocks in the Biochemistry Domain
The field of BioInformatics has become a major venue for the development and application of computational ontologies. Ranging from controlled vocabularies to annotation of experim...
Christopher J. Thomas, Amit P. Sheth, William S. Y...
ICGA
1997
122views Optimization» more  ICGA 1997»
13 years 10 months ago
A Comparison of Global and Local Search Methods in Drug Docking
Molecular docking software makes computational predictions of the interaction of molecules. This can be useful, for example, in evaluating the binding of candidate drug molecules ...
Christopher D. Rosin, R. Scott Halliday, William E...