Molecular Modeling Facility

Director:  Roland L. Dunbrack, Jr, PhD
Contact: Mark D. Andrake, PhD, Manager
[email protected]
Reimann R462
& Phone:
Reimann R462
Pricing &
Contact Mark Andrake for pricing and scheduling.

Structural information at the molecular level is critical to understanding the biological processes associated with cancer. The structures of over 6,200 human proteins are known in whole or in part by X-ray crystallography, NMR, and cryo-electron microscopy experiments and are publicly available in the Protein Data Bank (PDB). An additional 10,300 human proteins can be modeled, at least in part, based on evolutionary relatedness to experimental structures available in the PDB. Structural information is especially relevant to the analysis and interpretation of inherited and somatic mutations that arise in cancer. The design of molecules to alter or inhibit biological events associated with cancer is also greatly facilitated by structural information of molecular targets involved in the process.

The overall purpose of the Molecular Modeling Facility (MMF) is to enable the design and interpretation of experiments in all areas of cancer biology in the laboratories of Fox Chase Cancer Center members through the analysis of experimental and predicted three-dimensional structures of proteins and protein complexes. The Molecular Modeling Facility assists investigators in predicting the effects of missense mutations and the design of inhibitors and biologics such as antibodies based on available structural information. The Facility provides assistance with graphical images of experimental and predicted protein structures as well as text for grants and publications correlating structural information with biological outcomes.

This facility supports Fox Chase Cancer Center's Cancer Center Support Grant (CCSG) from the National Cancer Institute.