Bioscientific and Scientific Applications:

The time for discovery of a new chemical molecular structure, biological agent or drug can take a decade or more and involve billions of dollars. Reducing the time by even a few weeks in these research and development processes by running applications on our platforms can result in significant savings in developmental costs. Our resources provide a unique capability to combine high-performance supercomputing and advanced techniques in molecular visualization to drug discovery processes such as drug lead optimization, molecular modeling, protein folding and virtual screening.

Added Value

Delta HPC can add value to your research and development efforts in running applications such as those described on this page in the following ways:

• Rapid processing of applications for very high volumes of data.
  • In the time that it may take a Linux Cluster days, weeks or even months to run, Delta HPC can accelerate the computation time to as little as a few hours.
• Analyzing your data in a highly secure and confidential environment.
  • Our systems and company are organized so that our facility's resources are an extension of your own organization. Delta HPC has several years of experience in handling highly sensitive and confidential data from customers that include Fortune 1000 firms.
• Providing high priority to your computational needs.
  • Your analysis is not subject to long delays because of job runs of other parties using the supercomputer systems.
• Technical expertise on demand.
  • Services include access to and use of technical experts on a consultative basis as needed.
• Advanced visualization techniques
  • We have the capability to visualize your resulting analysis in our immersive CAVE environment, a state-of-the-art utility fusing high-performance computing and virtual reality technology for unequaled insight into and innate understanding of your data.

The Right Tools For the Job

Delta HPC was deliberate in selecting an SGI High-Throughput Computing (HTC) Environment because of its demonstrated advantages for running applications in biochemistry, bioinformatics, chemistry and physics.

The SGI HTC Environment for Bioinformatics provides a highly efficient data processing resource enabling users to work with industry-standard applications including BLAST, FASTA, Clustal W, HMMER and Wise2 in high-throughput mode. The HTC framework also allows us to drop in custom standalone program or scripts, quickly enabling application to be run in parallel throughput mode. Because the HTC environment works with the native application and without source code changes, applications obtain the same results as the original but far more efficiently.

Delta HPC's facilities offer applications that include the following:

Sequencing Tools

• BLAST
• Clustal W
• EMBOSS/EMBASSY
• FASTA
• HMMER
• Wise2

Molecular Dynamics — Classical

• NAMD
• GROMACS

Molecular Dynamics — Quantum and Classical

• NWChem

Molecular Dynamics — Quantum

• GAMESS US
• IdealFit

Molecular Visualization

• PyMol (to be available shortly)
• UIUC Virtual Molecular Dynamics
• CAVE Applications

Miscellaneous

• NONMEM
• PHYLIP