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Discovery of High-Affinity Inhibitors of the BPTF Bromodomain 期刊论文
JOURNAL OF MEDICINAL CHEMISTRY, 2021, 卷号: 64, 期号: 16, 页码: 12075-12088
作者:  Lu, Tian;  Lu, Haibo;  Duan, Zhe;  Wang, Jun;  Han, Jie
收藏  |  浏览/下载:38/0  |  提交时间:2021/11/04
Exploring binding mechanisms of VEGFR2 with three drugs lenvatinib, sorafenib, and sunitinib by molecular dynamics simulation and free energy calculation 期刊论文
CHEMICAL BIOLOGY & DRUG DESIGN, 2019, 卷号: 93, 期号: 5, 页码: 934-948
作者:  Wang, Yu;  Peng, Cheng;  Wang, Guimin;  Xu, Zhijian;  Luo, Yongfeng
收藏  |  浏览/下载:18/0  |  提交时间:2020/07/01
Mass Spectrometry and Theoretical Investigation of VNn+ (n=8, 9, and 10) Clusters 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2018, 卷号: 122, 期号: 20, 页码: 4687-4695
作者:  Ding, Kewei;  Xu, Hongguang;  Yang, Yang;  Li, Taoqi;  Chen, Zhaoqiang
收藏  |  浏览/下载:20/0  |  提交时间:2019/01/08
Self-assembled energetic 3D metal-organic framework [Na-8(N-5)(8)(H2O)(3)](n) based on cyclo-N-5(-) 期刊论文
DALTON TRANSACTIONS, 2018, 卷号: 47, 期号: 5, 页码: 1398-1401
作者:  Xu, Yuangang;  Wang, Pengcheng;  Lin, Qiuhan;  Mei, Xuefeng;  Lu, Ming
收藏  |  浏览/下载:14/0  |  提交时间:2019/01/08
RD-Metabolizer: an integrated and reaction types extensive approach to predict metabolic sites and metabolites of drug-like molecules 期刊论文
CHEMISTRY CENTRAL JOURNAL, 2017, 卷号: 11
作者:  Meng, Jiajia;  Li, Shiliang;  Liu, Xiaofeng;  Zheng, Mingyue;  Li, Honglin
收藏  |  浏览/下载:18/0  |  提交时间:2019/01/08
Halogen bonding interactions in ion pairs versus conventional charge-assisted and neutral halogen bonds: a theoretical study based on imidazolium species 期刊论文
RSC ADVANCES, 2015, 卷号: 5, 期号: 91, 页码: 74284-74294
作者:  Zhang, Shaoze;  Chen, Zhaoqiang;  Lu, Yunxiang;  Xu, Zhijian;  Wu, Weihong
收藏  |  浏览/下载:10/0  |  提交时间:2019/01/08
The Stabilization Effect of Dielectric Constant and Acidic Amino Acids on Arginine-Arginine (Arg-Arg) Pairings: Database Survey and Computational Studies 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2013, 卷号: 117, 期号: 17, 页码: 4827-4835
作者:  Zhang, Zhengyan;  Xu, Zhijian;  Yang, Zhuo;  Liu, Yingtao;  Wang, Jin'an
收藏  |  浏览/下载:8/0  |  提交时间:2019/01/08
The multiplicity, strength, and nature of the interaction of nucleobases with alkaline and alkaline earth metal cations: A density functional theory investigation 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2004, 卷号: 108, 期号: 18, 页码: 4008-4018
作者:  Zhu, WL;  Luo, XM;  Puah, CM;  Tan, XJ;  Shen, JH
收藏  |  浏览/下载:12/0  |  提交时间:2019/01/08
DNA nucleosides and their radical anions: Molecular structures and electron affinities 期刊论文
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2004, 卷号: 126, 期号: 13, 页码: 4404-4411
作者:  Richardson, NA;  Gu, JD;  Wang, SY;  Xie, YM;  Schaefer, HF
收藏  |  浏览/下载:10/0  |  提交时间:2019/01/08
The mechanisms of thermal decomposition of 5-nitro-1-hydrogentetrazole: A density function theory study 期刊论文
ACTA CHIMICA SINICA, 2002, 卷号: 60, 期号: 4, 页码: 590-595
作者:  Wang, J;  Gu, JD;  Tian, AM
收藏  |  浏览/下载:7/0  |  提交时间:2019/01/08


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