Molecular Graphics and Modeling

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.

Computational Chemical Biology

  • 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
Aaron Smalter Hall, Ph.D
Shankel Structural Biology Center, room 1012
785-864-6292
asmalterhall@ku.edu

LINKS TO LAB WEBSITES

Biochemistry & Protein Science

Bioinformatics & Modeling

Cross-Disciplinary

Materials Characterization

Molecular Structures

Translational Biology

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