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An Efficient and Versatile Tool for Lead Structure Generation and Optimization in Structure-based Dr
[会议论文] 作者：Yan Li,Zhixiong Zhao,Zhihai Liu,Renxiao Wang,
来源：2015年全国药物化学学术会议暨第五届中英药物化学学术会议 年份：2015
In structure-based drug design,docking-based virtual screening is widely applied to lead discovery.Other types of methods,such as build-up methods,have to be employed in the subsequent lead optimizati...
[会议论文] 作者：Zhixiong Zhao,Yuan Zhao,Yan Li,Zhihai Liu,Renxiao Wang,
来源：第十二届全国计算(机)化学学术会议 年份：2013
Docking-based virtual screening of large compound libraries has been widely applied to the early stage of lead discovery and is one of the most time-consuming steps in computer aided drug design.We ha...
[会议论文] 作者：Yan Li,Zhixiong Zhao,Zhihai Liu,Minyi Su,Renxiao Wang,
来源：中国化学会第十届全国化学生物学学术会议 年份：2017
In structure-based drug design,automated de novo design methods are helpful tools for lead discovery as well as lead optimization.In a previous study(J.Chem.Inf.Model.,2011,51,1474–1491),we reported a...
[会议论文] 作者：Zhixiong Zhao,Yuan Zhao,Yan Li,Zhihai Liu,Renxiao Wang,
来源：第八届全国化学生物学学术会议 年份：2013
Docking-based virtual screening of large compound libraries has been widely applied to the early stage of lead discovery and is one of the most time-consuming steps in computer aided drug design....
The PDBbind Database: A Comprehensive Collection of the Binding Data and Structures of the Complexes
[会议论文] 作者：Zhihai Liu,Yan Li,Jie Li,Tianwei Zhou,Zhixiong Zhao,Renxiao Wang,
来源：第十一届全国计算(机)化学学术会议 年份：2011
...
[会议论文] 作者：Zhihai Liu,Yan Li,Jie Li,Tianwei Zhou,Zhixiong Zhao,Renxiao Wang,
来源：第十一届全国计算(机)化学学术会议 年份：2011
...
[会议论文] 作者：Zhihai Liu,Yan Li,Li Han,Jie Li,Jie Liu,Zhixiong Zhao,Wei Nie,Yuchen Liu,Renxiao Wang,
来源：2015年全国药物化学学术会议暨第五届中英药物化学学术会议 年份：2015
Molecular recognition between biological macromolecules and organic small molecules plays an important role in various life processes.Both structural information and binding data of biomolecular compl...
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