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Molecular Modeling of the 3D Structure of 5-HT1AR: Discovery of Novel 5-HT1AR Agonists via Dynamic Pharmacophore-Based Virtual Screening 期刊论文
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2013, 卷号: 53, 期号: 12, 页码: 3202-3211
作者:  Xu, Lili;  Zhou, Shanglin;  Yu, Kunqian;  Gao, Bo;  Jiang, Hualiang
收藏  |  浏览/下载:14/0  |  提交时间:2019/01/08
Identification of Novel Small Molecules as Inhibitors of Hepatitis C Virus by Structure-Based Virtual Screening 期刊论文
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2013, 卷号: 14, 期号: 11, 页码: 22845-22856
作者:  Li, Jing;  Liu, Xian;  Li, Shanshan;  Wang, Yulan;  Zhou, Nannan
收藏  |  浏览/下载:19/0  |  提交时间:2019/01/08
A knowledge-based halogen bonding scoring function for predicting protein-ligand interactions 期刊论文
JOURNAL OF MOLECULAR MODELING, 2013, 卷号: 19, 期号: 11, 页码: 5015-5030
作者:  Liu, Yingtao;  Xu, Zhijian;  Yang, Zhuo;  Chen, Kaixian;  Zhu, Weiliang
收藏  |  浏览/下载:13/0  |  提交时间:2019/01/08
The gating charge pathway of an epilepsy-associated potassium channel accommodates chemical ligands 期刊论文
CELL RESEARCH, 2013, 卷号: 23, 期号: 9, 页码: 1106-1118
作者:  Li, Ping;  Chen, Zhuxi;  Xu, Haiyan;  Sun, Haifeng;  Li, Hao
收藏  |  浏览/下载:22/0  |  提交时间:2019/01/08
Microsecond molecular dynamics simulation of A beta(42) and identification of a novel dual inhibitor of A beta(42) aggregation and BACE1 activity 期刊论文
ACTA PHARMACOLOGICA SINICA, 2013, 卷号: 34, 期号: 9, 页码: 1243-1250
作者:  Wang, Yuan-yuan;  Li, Li;  Chen, Tian-tian;  Chen, Wu-yan;  Xu, Ye-chun
收藏  |  浏览/下载:22/0  |  提交时间:2019/01/08
Discovery of natural estrogen receptor modulators with structure-based virtual screening 期刊论文
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, 2013, 卷号: 23, 期号: 11, 页码: 3329-3333
作者:  Cao, Xianwen;  Jiang, Jing;  Zhang, Shoude;  Zhu, Lili;  Zou, Juan
收藏  |  浏览/下载:19/0  |  提交时间:2013/07/24
Virtual Screening and Structure-Based Discovery of Indole Acylguanidines as Potent beta-secretase (BACE1) Inhibitors 期刊论文
MOLECULES, 2013, 卷号: 18, 期号: 5, 页码: 5706-5722
作者:  Zou, Yiquan;  Li, Li;  Chen, Wuyan;  Chen, Tiantian;  Ma, Lanping
收藏  |  浏览/下载:19/0  |  提交时间:2019/01/08
Identification and synthesis of N-(thiophen-2-yl) benzamide derivatives as BRAF(V600E) inhibitors 期刊论文
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, 2013, 卷号: 23, 期号: 8, 页码: 2306-2312
作者:  Xie, Yunfeng;  Chen, Xianjie;  Qin, Jie;  Kong, Xiangqian;  Ye, Fei
收藏  |  浏览/下载:10/0  |  提交时间:2019/01/08
Discovery of novel inhibitors of signal transducer and activator of transcription 3 (STAT3) signaling pathway by virtual screening 期刊论文
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2013, 卷号: 62, 页码: 301-310
作者:  Zhang, Mingming;  Zhu, Weiliang;  Li, Yingxia
收藏  |  浏览/下载:18/0  |  提交时间:2019/01/08
Identification and characterization of small molecule inhibitors of signal transducer and activator of transcription 3 (STAT3) signaling pathway by virtual screening 期刊论文
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, 2013, 卷号: 23, 期号: 7, 页码: 2225-2229
作者:  Zhang, Mingming;  Zhu, Weiliang;  Ding, Ning;  Zhang, Wei;  Li, Yingxia
收藏  |  浏览/下载:6/0  |  提交时间:2019/01/08


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