CAJ | 학술논문

化合物活性筛选是创新药物研究的起点和具有决定意义的步骤,利用网格计算技术进行药物虚拟筛选能够极大提高药物筛选的有效性,同时可以大量减少新药研制的成本和时间.新药研发网格 DDGrid是中国国家网格CNGrid的重要支持项目,通过实施主从模式架构并在网格资源监控中使用适配器模式,DDGrid可以对超过10万规模的化合物分子数据库进行虚拟筛选.
화합물활성사선시창신약물연구적기점화구유결정의의적보취,이용망격계산기술진행약물허의사선능구겁대제고약물사선적유효성,동시가이대량감소신약연제적성본화시간.신약연발망격 DDGrid시중국국가망격CNGrid적중요지지항목,통과실시주종모식가구병재망격자원감공중사용괄배기모식,DDGrid가이대초과10만규모적화합물분자수거고진행허의사선.
Compounds activity screening is the key of drug discovery. Grid Computing is very effective in drug virtual-screening, which can reduce cost and time greatly. DDGrid (Drug Discovery Grid) is an important project supported by CNGrid (China National Grid). With the master/worker framework and the adapter model in grid monitor, DDGrid can support a virtual-screening task with more than 10,000 compounds.