Typical Grid computing scenarios involve many distributed hardware and software components. The more components that are involved, the more likely it is that one of them may fail....
Dan Gunter, Brian Tierney, Craig E. Tull, Vibha Vi...
Background: The fingerprint of a molecule is a bitstring based on its structure, constructed such that structurally similar molecules will have similar fingerprints. Molecular fin...
Thomas G. Kristensen, Jesper Nielsen, Christian N....
Grid and distributed public computing schemes has become an essential tool for many scientific fields including bioinformatics, computational biology and systems biology. The adopt...
The availability of large-scale protein-protein interaction data provides us with many opportunities to study molecular pathways involving proteins. In this paper we propose to mi...
Martin Farach-Colton, Yang Huang, John L. L. Woolf...
Electrostatic interactions play a significant role in determining the binding affinity of molecules and drugs. While significant effort has been devoted to the accurate computat...
Chandrajit L. Bajaj, Shun-Chuan Albert Chen, Guoli...