MDL Database And Virtual Screening Technoloygy Platform For Cross-Docking Technology Research And Application

In this paper, in-depth study of the current chemical information management systems and virtual screening system and the development of the existing problems, analysis of the existing chemical informatics software technology and virtual screening process for new drug research is now Long, low efficiency of the current situation, the use of Java software technology, and focus on the achievement based on TCP Socket cross-platform data communication method for existing chemical information management system MDL ISIS / BASE and LINUX clusters on the Virtual screening system DOCK / Pocket build a reliable and effective cross-platform data communication channels, and under the Windows platform built by easy-to-user visualization platform—ChemManager System, so that in Unix, Linux and Windows operating system and other platforms Under the Chemical Informatics software can work together to the virtual screening process Dock, Pocket integrated into Windows, the realization of the MDL data, DOCK and Pocket virtual visualization of the selection process to facilitate chemical operations staff to improve Drug computer-assisted process of the reliability and efficiency to facilitate the research work carried out.