This subproject is one of many research subprojects utilizing the resources provided by a Center grant funded by NIH/NCRR. The subproject and investigator (PI) may have received primary funding from another NIH source, and thus could be represented in other CRISP entries. The institution listed is for the Center, which is not necessarily the institution for the investigator. This project focuses on the development and implementation of web portals and grid services for a broad variety of HPC applications that NBCR has and continues to develop. The GAMESS, APBS, and AMBER computational chemistry applications have and continue to serve as prototypes for the infrastructure development. The life sciences have entered a new era defined by large multi-scale efforts conducted by interdisciplinary teams, with fast evolving technologies. Ramifications of these changes include accessibility of diverse applications as well as vast amounts of data, which need to be processed and turned into information and new knowledge. Accessibility via a multitude of clients, and ability to enable composition of data and applications in novel ways for facilitating innovation across an interdisciplinary group of scientists is most desirable. However, issues of diverse data formats and styles must be addressed to enable seamless interoperability. Adding Web service wrappers alleviates many problems because communication is by use of strongly typed data defined using XML schemas. Workflow tools can then mediate the flow of data between applications and compose them into meaningful scientific pipelines.
Showing the most recent 10 out of 270 publications
