Challenges of Rapid Computational Protein Docking
Speaker:
Thomas Hillen, University of Alberta
Date and Time:
Thursday, June 7, 2018 - 9:30am to 10:00am
Location:
Fields Institute, Room 230
Abstract:
A key step of computational drug development is the docking of a potential drug to a target protein. Efficient docking requires a detailed knowledge of the geometries of the binding pocket and the ligand, their molecular structures and a resolution of the binding energies. Computation of this process is possible, but current approaches are time consuming in ways which limit high-throughput use and accuracy.In this talk we discuss docking methods that are available on the market and compare them with a new docking approach developed by Syndemedic.