NAMD: A Case Study in Multilingual Parallel Programming
LCPC '97 Proceedings of the 10th International Workshop on Languages and Compilers for Parallel Computing
Drug Discovery Using Grid Technology
HPCASIA '04 Proceedings of the High Performance Computing and Grid in Asia Pacific Region, Seventh International Conference
GPUTeraSort: high performance graphics co-processor sorting for large database management
Proceedings of the 2006 ACM SIGMOD international conference on Management of data
View-Dependent Rendering of Large-Scale Molecular Models using Level of Detail
ICHIT '06 Proceedings of the 2006 International Conference on Hybrid Information Technology - Volume 01
Glyco-MGrid: A Collaborative Molecular Simulation Grid for e-Glycomics
E-SCIENCE '07 Proceedings of the Third IEEE International Conference on e-Science and Grid Computing
A Web-Based Interactive Monitoring System for Molecular Simulation
FBIT '07 Proceedings of the 2007 Frontiers in the Convergence of Bioscience and Information Technologies
Pocket recognition on a protein using euclidean voronoi diagram of atoms
ICCSA'05 Proceedings of the 2005 international conference on Computational Science and its Applications - Volume Part I
A web service-based molecular modeling system using a distributed processing system
HSI'05 Proceedings of the 3rd international conference on Human Society@Internet: web and Communication Technologies and Internet-Related Social Issues
Robust and efficient photo-consistency estimation for volumetric 3d reconstruction
ECCV'06 Proceedings of the 9th European conference on Computer Vision - Volume Part II
Parameter Sweep Workflows for Modelling Carbohydrate Recognition
Journal of Grid Computing
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A Molecular Docking System enables biologists to check whether two molecular models can be combined at a specific position and remain in their stable states by simulation. It can be used in developing new materials and designing new drugs. Since the docking simulation consists of several complicated computations at the level of atoms, it requires high computing capabilities such as super computers and parallel computing systems. We propose a molecular docking system using parallel GPUs in this paper. In our proposed method, a GPU can process an equation as a single logical work unit. The computations can be executed through parallel GPUs in real-time. The proposed system was evaluated in its performance by comparing with conventional CPU-based systems. A series of experiments for measuring performance of the system showed that our system is 33 to 287 times faster than the CPU-based systems.