A New Drug Discovery Platform for Distributed Virtual Screening Based on Data Management System
Yueli Dong, Quan Guo, Ling Kang, Xiaoyu Zhao · 2013
A new Drug Discovery Platform (DDP) for distributed virtual screening by using database system is proposed. DDP can monitor the process in real time, analyze docking results promptly, and process poses by energy ranking techniques. DDP can provide controls of communication and synchronization, it allows multiple tasks to access and update the data in parallel with marginal additional effort by using a database management system DB2. DDP can be used to dock millions of molecules effectively.