This project is to develop the massively distributed virtual screening methods and software for drug molecular design, study techniques on drug developing grid and drug design programs based on grid computing. The major research work of the project will be on the following aspects: (1) The methods of protein structure prediction; (2) The methods and program for virtual screening of the drug molecules; (3) Construct the target database of drug molecules; (4) The methods and program for the virtual screening of drug targets; (5) Develop grid computing platform for drug design.