Computational Biomedical Research Services

The Molecular Graphics and Modeling Laboratory provides a number of computational services aimed toward chemical biology and translational science in biomedical research. Capabilities include:

  • 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

CONTACT
David Johnson
emaildkjohnson@ku.edu
Access to more than 40 computational chemistry software programs and databases
High-performance computational tools accelerate drug discovery and minimize costs
Analyze complex, multidimensional data sets to rapidly generate biological insights
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