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科研机构
北京大学 [7]
化学研究所 [5]
上海药物研究所 [1]
内容类型
期刊论文 [13]
发表日期
2014 [4]
2013 [1]
2012 [2]
2011 [2]
2009 [2]
2006 [2]
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浏览/检索结果:
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De Novo Design of Multitarget Ligands with an Iterative Fragment-Growing Strategy
期刊论文
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2014, 卷号: 54, 期号: 4, 页码: 1235-1241
作者:
Shang, Erchang
;
Yuan, Yaxia
;
Chen, Xinyi
;
Liu, Ying
;
Pei, Jianfeng
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2019/04/09
Protein-Protein Interface Analysis and Hot Spots Identification for Chemical Ligand Design
期刊论文
CURRENT PHARMACEUTICAL DESIGN, 2014, 卷号: 20, 期号: 8, 页码: 1192-1200
作者:
Chen, Jing
;
Ma, Xiaomin
;
Yuan, Yaxia
;
Pei, Jianfeng
;
Lai, Luhua
收藏
  |  
浏览/下载:12/0
  |  
提交时间:2019/04/09
Protein-protein Interface Analysis
Small Molecular Binder
Binding Site Detection
Ligandability
Hot Spots
Pocket V.3
Protein-Protein Interface Analysis and Hot Spots Identification for Chemical Ligand Design
期刊论文
current pharmaceutical design, 2014
Chen, Jing
;
Ma, Xiaomin
;
Yuan, Yaxia
;
Pei, Jianfeng
;
Lai, Luhua
收藏
  |  
浏览/下载:7/0
  |  
提交时间:2015/11/13
Protein-protein interface analysis
small molecular binder
binding site detection
ligandability
hot spots
Pocket V.3
SMALL-MOLECULE INHIBITORS
DRUG DISCOVERY
BINDING-SITES
CONFORMATIONAL DYNAMICS
STRUCTURAL BIOLOGY
TRANSIENT POCKETS
PREDICTION
ALLOSTERY
DRUGGABILITY
MODULATION
De Novo Design of Multitarget Ligands with an Iterative Fragment-Growing Strategy
期刊论文
journal of chemical information and modeling, 2014
Shang, Erchang
;
Yuan, Yaxia
;
Chen, Xinyi
;
Liu, Ying
;
Pei, Jianfeng
;
Lai, Luhua
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2015/11/10
HUMAN WHOLE-BLOOD
DRUG DISCOVERY
MULTIPLE LIGANDS
LEAD DISCOVERY
CYCLOOXYGENASE
INHIBITORS
BIOSYNTHESIS
NETWORK
BIOLOGY
Binding Site Detection and Druggability Prediction of Protein Targets for Structure-Based Drug Design
期刊论文
current pharmaceutical design, 2013
Yuan, Yaxia
;
Pei, Jianfeng
;
Lai, Luhua
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2015/11/13
Ligandability
druggability
binding site detection
structure-based drug design
CAVITY
LIGAND-BINDING
PDBBIND DATABASE
ATOM DEPTH
IDENTIFICATION
POCKETS
MACROMOLECULES
DESCRIPTOR
CAVITIES
REGIONS
SEARCH
Post-filter in de novo drug design
期刊论文
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2012, 卷号: 243
作者:
Yuan, Yaxia
;
Pei, Jianfeng
;
Lai, Luhua
收藏
  |  
浏览/下载:7/0
  |  
提交时间:2019/04/09
Post-filter in de novo drug design
期刊论文
abstracts of papers of the american chemical society, 2012
Yuan, Yaxia
;
Pei, Jianfeng
;
Lai, Luhua
收藏
  |  
浏览/下载:1/0
  |  
提交时间:2015/11/13
LigBuilder 2: A Practical de Novo Drug Design Approach
期刊论文
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2011, 卷号: 51, 期号: 5, 页码: 1083-1091
作者:
Yuan, Yaxia
;
Pei, Jianfeng
;
Lai, Luhua
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2019/04/09
LigBuilder 2: A Practical de Novo Drug Design Approach
期刊论文
journal of chemical information and modeling, 2011
Yuan, Yaxia
;
Pei, Jianfeng
;
Lai, Luhua
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2015/11/10
MOLECULAR ARCHITECTURES
BINDING-SITES
LIGAND DESIGN
INHIBITORS
PROGRAM
COMBINATORIAL
GENERATION
DISCOVERY
RECEPTOR
DATABASE
Discovering Potent Small Molecule Inhibitors of Cyclophilin A Using de Novo Drug Design Approach
期刊论文
JOURNAL OF MEDICINAL CHEMISTRY, 2009, 卷号: 52, 期号: 17, 页码: 5295-5298
作者:
Ni, Shuaishuai
;
Yuan, Yaxia
;
Huang, Jin
;
Mao, Xiaona
;
Lv, Maosheng
收藏
  |  
浏览/下载:12/0
  |  
提交时间:2019/01/08
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