中国科学院机构知识库网格
Chinese Academy of Sciences Institutional Repositories Grid
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浏览/检索结果: 共15条,第1-10条 帮助

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Focused combinatorial library design based on structural diversity, druglikeness and binding affinity score 期刊论文  iSwitch采集
Journal of combinatorial chemistry, 2005, 卷号: 7, 期号: 3, 页码: 398-406
作者:  
Chen, G;  Zheng, SX;  Luo, XM;  Shen, JH;  Zhu, WL
收藏  |  浏览/下载:21/0  |  提交时间:2019/05/10
Focused combinatorial library design based on structural diversity, druglikeness and binding affinity score 期刊论文  OAI收割
JOURNAL OF COMBINATORIAL CHEMISTRY, 2005, 卷号: 7, 期号: 3, 页码: 398-406
作者:  
Chen, G;  Zheng, SX;  Luo, XM;  Shen, JH;  Zhu, WL
  |  收藏  |  浏览/下载:18/0  |  提交时间:2019/01/08
QSAR analyses on ginkgolides and their analogues using CoMFA, CoMSIA, and HQSAR 期刊论文  OAI收割
BIOORGANIC & MEDICINAL CHEMISTRY, 2005, 卷号: 13, 期号: 2, 页码: 313-322
作者:  
Zhu, WL;  Gang, C;  Hu, LH;  Luo, XM;  Gui, CS
  |  收藏  |  浏览/下载:16/0  |  提交时间:2019/01/08
QSAR  CoMFA  CoMSIA  HQSAR  ginkgolide  PAF  PAFR  antagonist  
Additivity of cation-pi interactions: An ab initio computational study on pi-cation-pi sandwich complexes 期刊论文  OAI收割
JOURNAL OF PHYSICAL CHEMISTRY A, 2004, 卷号: 108, 期号: 43, 页码: 9400-9405
作者:  
Liu, T;  Zhu, WL;  Gu, JD;  Shen, JH;  Luo, XM
  |  收藏  |  浏览/下载:22/0  |  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  OAI收割
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:17/0  |  提交时间:2019/01/08
Elucidating inhibitory models of the inhibitors of epidermal growth factor receptor by docking and 3D-QSAR 期刊论文  OAI收割
BIOORGANIC & MEDICINAL CHEMISTRY, 2004, 卷号: 12, 期号: 9, 页码: 2409-2417
作者:  
Chen, G;  Luo, XM;  Zhu, WL;  Luo, C;  Liu, H
  |  收藏  |  浏览/下载:16/0  |  提交时间:2019/01/08
inhibitors  EGFR  docking  QSAR  CoMFA  CoMSIA  
N-methylformamide-benzene complex as a prototypical peptide N-H center dot center dot center dot pi hydrogen-bonded system: Density functional theory and MP2 studies 期刊论文  OAI收割
JOURNAL OF ORGANIC CHEMISTRY, 2003, 卷号: 68, 期号: 19, 页码: 7490-7495
作者:  
Cheng, JG;  Kang, CM;  Zhu, WL;  Luo, XM;  Puah, CM
  |  收藏  |  浏览/下载:14/0  |  提交时间:2019/01/08
The interaction model between metal cation and tropylium: a quantum chemistry predication 期刊论文  OAI收割
CHEMICAL PHYSICS LETTERS, 2002, 卷号: 366, 期号: 3-4, 页码: 267-273
作者:  
Zhu, WL;  Liu, T;  Shen, JH;  Luo, XM;  Tan, XJ
  |  收藏  |  浏览/下载:20/0  |  提交时间:2019/01/08