COMPUTER AIDED DRUG DISCOVERY AND METASCHEDULING IN CLOUD COMPUTING

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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. In order to deliver cyberinfrastructure to the general scientific and biomedical research community, transparent access and ease of use are of critical importance. Applications in systematic modeling of biological processes across scales of time and length demand more and more sophisticated algorithms and larger and longer simulations. The increased level of sophistication requires that cyberinfrastructure developers either work closely with the applications scientists, or develop middleware that flattens the learning curve for these scientists to use the grid willingly and transparently. Many life sciences researchers prefer to run applications in the grid environment without modifications, and without knowledge of specific computational resources being utilized.