Speaker: Emily King (National Institutes of Health / Norbert Wiener Center)

Title: Protein-Protein Docking and the FFT


Being able to predict how proteins and their ligands will interact sheds light on one of the fundamental driving forces of life. A number of the best rigid-body docking methods cleverly make use of a simple characteristic of the Discrete Fourier Transform, coupled with the speed of a Fast Fourier Transform implementation. This talk will present challenges faced in protein-protein docking prediction, as well as the basic algorithms behind a number of rigid-body docking programs, like FTDock and ZDOCK. Finally, protein-protein docking through molecular dynamics will also be discussed.