The Molecular Graphics and Modeling (MGM) Laboratory provides a number of computational services aimed toward chemical biology and translational science in biomedical research. The MGM lab is available for research collaborations as well as fee-for-service activities. The lab provides access to high-performance computational tools including interactive graphics and visualization programs to help users to construct and submit such simulations, and to analyze complex, often multidimensional, results.
- Machine learning and data mining for large scale, multidimensional chemical biology data sets
- Docking and virtual screening of small molecule ligands against protein targets of interest
- Molecular dynamics simulation and modeling of small/macro molecules, proteins, and biomolecular systems
- Analysis of structure-activity relationships
- Visualization and graphics of biomolecules and biomolecular systems
- Custom algorithm/software development along with databases and web applications
Shankel Structural Biology Center, room 1012