Academic
Publications
Theoretical enzyme design using the Kepler scientific workflows on the Grid

Theoretical enzyme design using the Kepler scientific workflows on the Grid,10.1016/j.procs.2010.04.131,Procedia Computer Science,Jianwu Wang,Prakasha

Theoretical enzyme design using the Kepler scientific workflows on the Grid   (Citations: 2)
BibTex | RIS | RefWorks Download
One of the greatest challenges in computational chemistry is the design of enzymes to catalyze non-natural chemical reactions. We focus on harnessing the distributed parallel computational power of the Grid to automate the inside-out process of enzyme design using scientific workflow systems. This paper presents a scientific workflow based approach to facilitate the inside-out enzyme design process in the Grid execution environment by providing features such as resource consolidation, task parallelism, provenance tracking, fault tolerance and workflow reuse, which results in an automated, pipelined, efficient, extensible, stable, and easy-to-use computational process for enzyme design.
Journal: Procedia Computer Science , vol. 1, no. 1, pp. 1175-1184, 2010
Cumulative Annual
View Publication
The following links allow you to view full publications. These links are maintained by other sources not affiliated with Microsoft Academic Search.
Sort by: