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Tuesday, July 28 • 11:30am - 12:00pm
Using Docking and Molecular dynamics to explore GAGs-protein interactions

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My research uses docking and molecular dynamics to explore glycosaminoglycans(GAGs)-protein interactions. This project will be established to primarily address the computational requirements of the PEG and secondarily to serve the needs of the wider glycoscience community. The primary objectives of my project will be: 1) to perform computational analyses related to the glycoscience, which will include the Combinatorial Virtual Library Screening (CVLS) experiments and molecular dynamics; 2) to set up, maintain and periodically update the hardware and software required for such analyses, especially GPU calculation; 3) to develop advanced computational tools and protocols for better understanding of GAG-protein interactions. The Computational calculation will support the Chemistry and Biology of Heparan Sulfate project on all aspects of computational experimentation. It will utilize computational chemistry and biology in the design of heparan sulfate molecules that are potentially useful in the treatment of thrombotic and inflammatory disorders.


Tuesday July 28, 2015 11:30am - 12:00pm CDT
Majestic C

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