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[会议论文] 作者：Beibei Mao,Liangren Zhang,
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
The mammalian target of rapamycin(mTOR)is a critical component part of the PI3K-Akt signaling pathway that plays a key role in the regulation of cellular growth and proliferation.Dysregulation of mTOR...
[会议论文] 作者：Yanjun Shen,Fen Pei,Hongwei Jin,Liangren Zhang,
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
Toll-like receptor 8(TLR8)is one of the evolutionally conserved pattern recognition receptors(PRRs).TLR8 agonists activate adaptive immune responses by inducing robust production of T helper 1-polariz...
[会议论文] 作者：Qiyao Luo,Ziyun Wang,Zhenming Liu,Liangren Zhang,
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
Endothelial lipase(EL)has been implicated in HDL metabolism and the pathogenetic progress of atherosclerosis,and its specific inhibitors are expected to be useful for the treatment of cardiovascular d...
[会议论文] 作者：LIDAN SUN,HONGWEI JIN,ZHENJUN YANG,LIANGREN ZHANG,
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
Thrombin-binding DNA aptamer(TBA)can fold into an G-quadruplex structure necessary for interacting with thrombin.It is reported that incorporation the D-isothymidine(D-isoT)or unlocked nucleic acid(UN...
Integrating Pharmacophore into Membrane Molecular DynamicsSimulations to Improve Homology Modeling o
[会议论文] 作者：Mengxin Guan,Lingxiao Zeng,Hongwei Jin,Zhenming Liu,Liangren Zhang,
来源：第十三届全国计算机化学学会会议 年份：2015
Homology modeling has been applied to fill in the gap in experimental G protein-coupledreceptors(GPCRs)structure determination.However,achievement of GPCR h...
New Insights into the Chemical Druggability Prediction 1:Toward Constructing Reliable Drug and Bench
[会议论文] 作者：Jie Xia,Liangren Zhang,Jianxing Hu,Zili Jin,Zhenming Liu,
来源：第十三届全国计算机化学学会会议 年份：2015
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[会议论文] 作者：Lingxiao Zeng,Mengxin Guan,Hongwei Jin,Zhenming Liu,Liangren Zhang,
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
Homology modeling has been applied to fill in the gap in experimental G protein-coupled receptors structure determination.However,achievement of G protein-coupled receptors homology models with ligand...
New Insights into the Chemical Druggability Prediction 1:Toward Constructing Reliable Drug and Bench
[会议论文] 作者：Jianxing Hu,Zili Jin,Jie Xia,Zhenming Liu,Liangren Zhang,
来源：第十三届全国计算机化学学会会议 年份：2015
Quantitative or qualitative characterization of the drug-like features of known drugs can help medicinal chemists to select higher quality drug leads from a huge pool of compounds and to improve the e...
[会议论文] 作者：Junyong Lai,Xin Zhou,Jianxing Hu,Liangren Zhang,Zhenming Liu,
来源：2019中国化学会第十五届全国计算(机)化学学术会议 年份：2019
Natural product has long been used in the medical field.As an important source of new drugs,natural product remains essential to the pharmaceutical industry....
Comparative Analysis of Pharmacophore Features and Quantitative Structure-Activity Relationships for
[会议论文] 作者：Shuang Zhang,Xiwen Xue,Liangren Zhang,Lihe Zhang,Zhenming Liu,
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
Human CD38 is a member of ADP-ribosyl cyclase family,which is a type Ⅱor type Ⅲ transmembrane glycoprotein1.CD38 can catalyzes the transformation of β-NAD+and NADP to the Ca2+-mobilizing messengers cA...
[会议论文] 作者：Ya CHEN,Yong TANG,Hongwei JIN,Zhenming LIU,Liangren ZHANG,
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
Breast cancer is one of the most common malignant tumor in women,both in the developed countries and developing countries.Triple-negative breast cancer(TNBC)refers to any breast cancer that does not e...
Comparison and discovery of potential non-covalent CD38 inhibitors by virtual screening strategy bas
[会议论文] 作者：Xiwen Xue,Wenjie Zhu,Liangren Zhang,Yongjuan Zhao,Zhenming Liu,
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
As a type Ⅱ or Ⅲ transmembrane glycoprotein,human CD38 is ubiquitously expressed in all mammalian tissues.CD38 is a multi-functional enzyme and a member of the ADP-ribosyl cyclase family,and it cataly...
[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...
[会议论文] 作者：Zhenming Liu,Yibo Li,Jianxing Hu,Yanxing Wang,Jielong Zhou,Liangren Zhang,
来源：2019中国化学会第十五届全国计算(机)化学学术会议 年份：2019
The ultimate goal of drug design is to find novel compounds with desirable pharmacological properties....
Discovery and Identification of Agonists of Cyclic ADP-ribose Regulated Calcium Pathway Discovery an
[会议论文] 作者：Xuan Wang,Shuang Zhang,Hongwei Jin,Zhenming Liu,Liangren Zhang,Lihe Zhang,
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
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[会议论文] 作者：Yibo Li,Jianxing Hu,Yanxing Wang,Jielong Zhou,Liangren Zhang,Zhenming Liu,
来源：2019中国化学会第十五届全国计算(机)化学学术会议 年份：2019
“Molecular scaffold” is one of the most important and widely used concept in medicinal chemistry....
[会议论文] 作者：Yanxing Wang,Jianxing Hu,Yibo Li,Hongwei Jin,Liangren Zhang,Zhenming Liu,
来源：2019中国化学会第十五届全国计算(机)化学学术会议 年份：2019
Many helpful theories that have been facilitating drug discovery are based on physical fields,for example,pharmacophore theory is based on chemical bonding and chemical bonding ultimately depends on t...
Identification and Characterization of the Influenza Virus Hemagglutinin Binding Site for a Series o
[会议论文] 作者：Lidan Sun,Feng Tian,Hongwei Jin,Zhenming Liu,Liangren Zhang,Jianfeng Pei,
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
The influenza virus hemagglutinin(HA) is a potential drug target for anti-virus treatment.A variety of membrane fusion inhibitors targeting HA were discovered but the binding sites and the binding mod...
Design,Synthesis,and Structure-Activities Relationship Studies of α7 Nicotinic Acetylcholine Recepto
[会议论文] 作者：Qing Li,Yu Xue,Taoyi Yang,Xiaozhuo Ma,Kewei Wang,Liangren Zhang,
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
Nicotinic acetylcholine receptors(nAChRs)are members of Cys-loop ligand gated ion channels superfamily.The α7 nAChR,a homopentamer composed of five α7 subunits,has been implicated in diseases associat...
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