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Discovery of Novel Antibacterial Agents by Structure-based Drug Design, Synthesis and Biological Eva
[会议论文] 作者：Wenjie Xue,Jie Xia,Xiang Simon Wang,Song Wu,
来源：第九届国际分子模拟与信息技术应用学术会议(ICMS&I2018) 年份：2018
The emergence and spread of antibiotic resistance represent a severe global issue.New drug targets and novel lead compounds that exempt from cross-resistanc...
[会议论文] 作者：Terry-Elinor Reid,Samantha McCullough,Muhammad Habib,Xiang Simon Wang,
来源：第九届IUPAC化学生物学国际研讨会暨第八届世界华人药物化学研讨会 年份：2012
Human chemokine receptors are integral membrane proteins that specifically bind and respond to cytokines of the chemokine family.They belong to a large protein family,the G-protein coupled receptors(G...
[会议论文] 作者：Jie Xia,Terry-Elinor Reid,Song Wu,Liangren Zhang,Xiang Simon Wang,
来源：第九届国际分子模拟与信息技术应用学术会议(ICMS&I2018) 年份：2018
Chemokine receptors(CRs)have long been druggable targets for the treatment of inflammatory diseases and HIV-1 infection.As a powerful technique,virtual screening(VS)has been widely applied to identify...
An Unbiased Method To Build Benchmarking Sets for Ligand-Based Virtual Screening and its Application
[会议论文] 作者：Jie Xia,Hongwei Jin,Zhenming Liu,Liangren Zhang,Xiang Simon Wang,
来源：第七届国际分子模拟与信息技术应用学术会议 年份：2014
Benchmarking data sets have become common in recent years for the purpose of virtual screening, though the main focus had been placed on the structure-based virtual screening (SBVS) approaches.Due to...
Discovery of LspA Inhibitors as Novel Antibacterial Agents:Virtual Screening,Synthesis and Biologica
[会议论文] 作者：Wenjie Xue,Jie Xia,Bo Feng,Xiang Simon Wang,Song Wu,
来源：中国化学会第14 届全国计算(机)化学学术会议暨分子模拟国际论坛 年份：2017
The emergence and spread of antibiotic resistance represent a severe global issue.New drug targets and novel lead compounds that exempt from cross-resistance to existing drugs are urgently needed....
Knowledge-based Pose Filter Ensemble as Structure-based Virtual Screening Tools to Facilitate the Di
[会议论文] 作者：Jie Xia,Yi Huan,Xing Wang,Wenjie Xue,Xiang Simon Wang,Zhufang Shen,Song Wu,
来源：中国化学会第14 届全国计算(机)化学学术会议暨分子模拟国际论坛 年份：2017
Structure-based virtual screening(SBVS)has become an indispensable technique for hit identification at the early stage of drug discovery....
[会议论文] 作者：Jie Xia,Ermias Lemma Tilahun,Eyob Hailu Kebede,Terry-Elinor Reid,Liangren Zhang,Xiang Simon Wang,
来源：第八届国际分子模拟与信息技术应用学术会议 年份：2016
Histone deacetylases(HDACs)are an important class of drug targets for the treatment of cancers,neurodegenerative diseases,and other types of diseases.Virtual screening(VS)has become fairly effective a...
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