The Crystallography and Computational Biosciences (CCB) Shared Resource serves as a portal for access to:

  • State-of-the-art X-ray crystallographic equipment
  • Technical support
  • High-performance computing
  • Scientific consultation for Cancer Center researchers

The CCB meets the growing needs for structure determination and computational analysis of protein and DNA/RNA structure, function and dynamics for a diverse array of projects ranging from basic science questions to drug design.

The Crystallography and Computational Biosciences Core supports areas of basic science research with an emphasis on biological processes related to cancer such as:

  • Cell signaling
  • Transcriptional regulation
  • DNA damage and repair
  • Lipid metabolism

We provide access to cutting-edge modeling and simulation methods. The information from these complementary approaches can be used to develop novel therapies, as it’s essential for assessing and exploiting the biological function of the target protein.

The CCB also provides support for ongoing projects and the development of new projects through the collection of preliminary data for funding applications.

Capabilities and Expertise

Our structural biology team has expertise in macromolecular crystallography and works with investigators on all levels of structure determination.

Some examples of recent collaborations include:

  • Development of PI3K-kinase inhibitors
  • Development of fatty acid synthase inhibitors
  • Dissection of the molecular basis for peroxiredoxin inactivation and repair by sulfiredoxin
  • Structure and function of the mammalian TREX1 3' exonuclease and RNase H2 enzymes

Services We Provide

Our computational biology expertise lies in structure-based classical modeling, docking, and analysis, but we also have expertise in computational biology/bioinformatics, and in quantum mechanical calculations.