Recent News

  • Jack Tuszynski Accelerating Drug Discovery with Analytics and High Performance Computing http://www.youtube.com/watch?v=TgCMQLTkmO4Jack Tuszynski speaks on "Accelerating Chemotherapy Drug Discovery with Analytics and High Performance Computing" at the Best of Analytics meeting in Edmonton, Alberta ...
    Posted Dec 16, 2013, 8:58 AM by Philip Winter
  • New Videos The Tuszynski Lab has prepared two new videos.The first video has gives an overview of the resources available in the Tuszynski lab (about 15 minutes).The second video was ...
    Posted Nov 17, 2014, 12:17 PM by Philip Winter
  • Welcome to our new website Please send feedback to pwinter@ualberta.ca.
    Posted Apr 27, 2012, 2:00 PM by Philip Winter
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About Project PharmaMatrix

Project PharmaMatrix applies in silico rational drug design methods to develop novel chemotherapeutic agents. The project will screen a large compound library against binding pockets on multiple biologically relevant targets and target families.

The methods being used include compound library design, homology modeling, binding site prediction, and ligand-based screening. Binding affinity prediction is being performed with docking techniques, molecular dynamics, and hybrid quantum mechanics/molecular mechanics approaches. Initial drug candidates have been discovered and both in vitro assays and in vivo cancer cell line assays have been completed; these tests will assist in validation of the computational methods. Beyond the application of existing methods, project researchers are developing novel information theory based techniques for drug design.

An interdisciplinary team of researchers has been assembled at the University of Alberta. A dedicated computational facility at Alberta Health Service's Cross Cancer Institute has been built for the project, including a high-performance computing cluster.