• The Journal of the Korea Contents Association
• /
• v.8 no.12
• /
• pp.441-448
• /
• 2008

The molecular docking system needs a large amount of computation and requires super-computing power. Since the experiment requires a large amount of time, the experiment is conducted in the distributed environment or in the grid environment. Recently, researches on using parallel GPU of far higher performance than that of CPU in scientific computing have been very actively conducted. CUDA is an open technique by which a parallel GPU programming is made possible. This study proposes the molecular docking system using CUDA. It also proposes algorithm that parallels energy-minimizing-computation. To verify such experiments, this study conducted a comparative analysis on the time required for experimenting molecular docking in general CPU and the time and performance of the parallel GPU-based molecular docking which is proposed in this study.