A Web / Grid Portal Implementation of BioSimGrid: A Biomolecular Simulation Database

Bing Wu, Matthew J. Dovey, Muan Hong Ng, Kaihsu Tai, Stuart E. Murdock, Paul Jeffreys, Simon J. Cox, Jonathan W. Essex, Mark S. P. Sansom

Abstract: The overall aim of the BioSimGrid project (www.biosimgrid.org) is to exploit the grid infrastructure to enable comparative analysis of the results of biomolecular simulations. In particular, we present the implementation of current BioSimGrid Web portal. The portal has a SOA (service oriented architecture) framework built on the layer of OGSA (open grid service architecture) and OGSA-DAI (open grid service architecture database access and integration) middleware. The PortalLib has been developed to allow RAD (rapid application development) of portal applications. The portal also integrates PKI (public key infrastructure) and supports two levels of distributed SSO (single sign on): grid certificate-based SSO for high security, and user/pass based SSO for maximal flexibility.