Parallel algorithm for score grid computing of receptor with CUDA
CUDA下受体评分网格生成并行算法

The time of generating the scoring grid in molecule docking is very huge. Aiming at this problem, this paper introduced a parallel algorithm of score grid based on the compute unified device architecture (CUDA). In traditional methods, it needed to calculate every node in three-dimensional space. This algorithm took the calculation of one dimension on graphic processing unit (GPU). It reduced the total computational time. The experimental results show that the parallel algorithm with the help of GPU, can significantly shorten generation time of the score grid compared with the traditional calculating method of DOCK. The algorithm offers a new way for generating the scoring grid.