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Discovery of potentially biased agonists of mu-opioid receptor (MOR) through molecular docking, pharmacophore modeling, and MD simulation 期刊论文
COMPUTATIONAL BIOLOGY AND CHEMISTRY, 2021, 卷号: 90, 页码: 107405
作者:  Jiang,Xuan;  Li,Shuxiang;  Zhang,Hongbin;  Wang,Liang-Liang
浏览  |  Adobe PDF(6441Kb)  |  收藏  |  浏览/下载：189/26  |  提交时间：2022/04/02
mu-Opioid receptors (MOR)  Biased ligands  Molecular docking  Hip-hop pharmacophore  MD simulation  
Identification of Novel TRPC5 Inhibitors by Pharmacophore-Based and Structure-Based Approaches 期刊论文
COMPUTATIONAL BIOLOGY AND CHEMISTRY, 2020
作者:  Li, Shuxiang;  Zhang, Shuqun;  Chen, Dingyuan;  Jiang, Xuan;  Liu, Bin;  Zhang, Hongbin;  Rachakunta, Munikishore;  Zuo, Zhili
浏览  |  Adobe PDF(4261Kb)  |  收藏  |  浏览/下载：201/49  |  提交时间：2021/01/05
Homology modeling and 3D-QSAR study of benzhydrylpiperazine delta opioid receptor agonists 期刊论文
COMPUTATIONAL BIOLOGY AND CHEMISTRY, 2019, 卷号: 83, 页码: 9
作者:  Pan, Chenling;  Meng, Hao;  Zhang, Shuqun;  Zuo, Zhili;  Shen, Yuehai;  Wang, Liangliang;  Chang, Kwen-Jen
浏览  |  Adobe PDF(1542Kb)  |  收藏  |  浏览/下载：395/89  |  提交时间：2020/03/18
delta opioid receptor agonists  3D-QSAR  Homology modeling  Molecular dynamics simulation  Molecular docking  
Identification of potential AMPK activator by pharmacophore modeling, molecular docking and QSAR study 期刊论文
COMPUTATIONAL BIOLOGY AND CHEMISTRY, 2019, 卷号: 79, 页码: 165-176
作者:  Li, Yingying;  Peng, Jiale;  Li, Penghua;  Du, Haibo;  Li, Yaping;  Liu, Xingyong;  Zhang, Li;  Wang, Liang-Liang;  Zuo, Zhili
浏览  |  Adobe PDF(7335Kb)  |  收藏  |  浏览/下载：313/33  |  提交时间：2019/07/29
Pharmacophore modeling  Molecular docking  Quantitative structure activity relationship (QSAR)  Molecular dynamics  AMPK  Activator  
Discovery of novel indoleamine 2,3-dioxygenase 1 (IDO1) inhibitors by virtual screening 期刊论文
COMPUTATIONAL BIOLOGY AND CHEMISTRY, 2019, 卷号: 78, 页码: 306-316
作者:  Zhou, Yeheng;  Peng, Jiale;  Li, Penghua;  Du, Haibo;  Li, Yaping;  Li, Yingying;  Zhang, Li;  Sun, Wei;  Liu, Xingyong;  Zuo, Zhili
浏览  |  Adobe PDF(2732Kb)  |  收藏  |  浏览/下载：318/51  |  提交时间：2019/03/25
IDO1  Molecular docking  HipHop pharmacophore  3D-QSAR  PAINS  
Pharmacophore modeling, molecular docking and molecular dynamics simulations toward identifying lead compounds for Chk1 期刊论文
COMPUTATIONAL BIOLOGY AND CHEMISTRY, 2018, 卷号: 76, 页码: 53-60
作者:  Li, Yaping;  Peng, Jiale;  Zhou, Yeheng;  Li, Penghua;  Li, Yingying;  Liu, Xingyong;  Siddique, Abu Nasar;  Zhang, Li;  Zuo, Zhili
收藏  |  浏览/下载：193/0  |  提交时间：2018/11/12
Checkpoint kinase 1 inhibitor  Virtual screening  Pharmacophore modeling  Molecular docking  Molecular dynamics simulations  
Virtual screening of B-Raf kinase inhibitors: A combination of pharmacophore modelling, molecular docking, 3D-QSAR model and binding free energy calculation studies 期刊论文
COMPUTATIONAL BIOLOGY AND CHEMISTRY, 2017, 卷号: 70, 页码: 186-190
作者:  Zhang, Wen;  Qiu, Kai-Xiong;  Yu, Fang;  Xie, Xiao-Guang;  Zhang, Shu-Qun;  Chen, Ya-Juan;  Xie, Hui-Ding
浏览  |  Adobe PDF(371Kb)  |  收藏  |  浏览/下载：194/40  |  提交时间：2017/12/11
B-raf Kinase Inhibitors  Virtual Screening  Pharmacophore  Molecular Docking  3d Qsar  Binding Free Energy Calculation  
Comparative QSAR studies using HQSAR, CoMFA, and CoMSIA methods on cyclic sulfone hydroxyethylamines as BACE1 inhibitors 期刊论文
COMPUTATIONAL BIOLOGY AND CHEMISTRY, 2017, 卷号: 67, 期号: 1, 页码: 38-47
作者:  Zhang, Shuqun;  Lin, Zichun;  Pu, Yinglan;  Zhang, Yunqin;  Zhang, Li;  Zuo, Zhili
浏览  |  Adobe PDF(1591Kb)  |  收藏  |  浏览/下载：360/69  |  提交时间：2017/05/19
Bace1  Ad  Hqsar  Comfa  Comsia  
Link test—A statistical method for finding prostate cancer biomarkers 期刊论文
Computational Biology and Chemistry, 2006, 卷号: 30, 页码: 425–433
作者:  Einar Brochmann-Hanssen;  Hsuch-Ching Chiang
Adobe PDF(1196Kb)  |  收藏  |  浏览/下载：76/1  |  提交时间：2017/07/19