J. Pytlinski, L. Skorwider, V. Huber, P. Bala
UNICORE - An Uniform Platform for Chemistry on the Grid
Journal of Computational Methods in Science and Engineering 2 (3s-4s) pp. 369-376

In this paper we describe developed grid tools for qunatum chemical and biomolecular applications. We have used Unicore infrastructure as framework for development dedicated user interface to the Gaussian98, Amber 6.0, Car-Parrinello Molecular Dynamics Code as well as interface to Protein Data Bank. The user interface is integrated with the UNICORE client based on plugin mechanism which provides general grid functionality such as single login, job submission and control mechanism.