|Keck Seminar: Protein Docking & Design|
Zhipeng Weng, PhD, Director and Professor, Program in Bioinformatics and Integrative Biology, University of Massachusetts Medical School
|date:||4:00PM US Central (GMT −0500)|
Friday, February 1, 2013
|location:||BRC Auditorium, BioScience Research Collaborative Building, Rice University|
|sponsor:||Gulf Coast Consortia|
I will present our recent work on protein docking and design. First, we optimized our docking algorithm with a new fast Fourier transform library and molecular positioning, leading to on average an 8.5 fold improvement in computational speed while maintaining the same accuracy. Second, we explored angular distance for improving docking efficiency and clustering. We developed a hybrid-resolution approach based on angular distance, which led to a six-fold improvement in computational speed while maintaining the same accuracy. We can combine the above two improvements and yield a docking algorithm that is 50 times faster than before. Third, we developed a new T cell receptor (TCR) docking algorithm called TCRFlexDock and a new benchmark containing 20 unique TCR/MHC-peptide complexes for which unbound structures are also available. Finally, we developed a new scoring function called ZAPP for predicting of protein-protein binding affinities based on the structures of the unbound components and the complex.
|more info:||Gulf Coast Consortia for Quantitative Biomedical Sciences|
|watch:||There is no archive media for this event.|
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