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科研机构
北京大学 [22]
内容类型
期刊论文 [18]
其他 [4]
发表日期
2017 [1]
2014 [2]
2013 [1]
2011 [1]
2010 [1]
2009 [2]
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专题:北京大学
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PharmMapper 2017 update: a web server for potential drug target identification with a comprehensive target pharmacophore database
期刊论文
NUCLEIC ACIDS RESEARCH, 2017
Wang, Xia
;
Shen, Yihang
;
Wang, Shiwei
;
Li, Shiliang
;
Zhang, Weilin
;
Liu, Xiaofeng
;
Lai, Luhua
;
Pei, Jianfeng
;
Li, Honglin
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2017/12/03
DOCKING APPROACH
PROTEIN TARGETS
GENERATION
PREDICTION
MOLECULES
SEARCH
DESIGN
PHARMACOLOGY
POCKET
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
iDrug: a web-accessible and interactive drug discovery and design platform
期刊论文
journal of cheminformatics, 2014
Wang, Xia
;
Chen, Haipeng
;
Yang, Feng
;
Gong, Jiayu
;
Li, Shiliang
;
Pei, Jianfeng
;
Liu, Xiaofeng
;
Jiang, Hualiang
;
Lai, Luhua
;
Li, Honglin
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2015/11/11
Online drug design platform
Cavity detection
Pharmacophore search
3D similarity calculation
Target prediction
BREAST-CANCER
TARGET IDENTIFICATION
CONFORMATIONAL GENERATION
BINDING AFFINITIES
HYBRID APPROACH
TAMOXIFEN
DATABASE
INHIBITORS
SERVER
SIMILARITY
Modeling Compound-Target Interaction Network of Traditional Chinese Medicines for Type II Diabetes Mellitus: Insight for Polypharmacology and Drug Design
期刊论文
journal of chemical information and modeling, 2013
Tian, Sheng
;
Li, Youyong
;
Li, Dan
;
Xu, Xiaojie
;
Wang, Junmei
;
Zhang, Qian
;
Hou, Tingjun
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2015/11/11
GLYCATION END-PRODUCTS
ALDOSE REDUCTASE
NATURAL-PRODUCTS
INHIBITORY-ACTIVITY
PHENOLIC-COMPOUNDS
LIPID PEROXIDE
HUMAN-DISEASE
RISK-FACTORS
DISCOVERY
GLYCOSIDES
Identification of Small-Molecule Inhibitors against Human Leukocyte Antigen-Death Receptor 4 (HLA-DR4) Through a Comprehensive Strategy
期刊论文
journal of chemical information and modeling, 2011
Liu, Zhenming
;
Li, Bo
;
Li, Xia
;
Zhang, Liangren
;
Lai, Luhua
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2015/11/13
ALTERED PEPTIDE LIGAND
T-CELL-ACTIVATION
HEMAGGLUTININ-DERIVED PEPTIDES
COLLAGEN-INDUCED ARTHRITIS
RHEUMATOID-ARTHRITIS
INFLUENZA-VIRUS
II COLLAGEN
AUTOIMMUNE ARTHRITIS
AUTOMATED DOCKING
3D DATABASE
基于药效团模型的DHODH抑制剂构效关系研究
期刊论文
高等学校化学学报, 2010
鲍红娟
;
唐亚林
;
徐筱杰
;
向俊锋
;
郑智慧
;
路新华
收藏
  |  
浏览/下载:8/0
  |  
提交时间:2015/11/12
DHODH抑制剂
构效关系
药效团模型
虚拟筛选
Dihydroorotate dehydrogenase inhibitor
Structure-activity relationship
Pharmacophore model
Virtual screening
Stabilizing parallel G-quadruplex DNA by a new class of ligands: Two non-planar alkaloids through interaction in lateral grooves
期刊论文
biochimie, 2009
Li, Qian
;
Xiang, Junfeng
;
Li, Xudong
;
Chen, Lirong
;
Xu, Xiaojie
;
Tang, Yalin
;
Zhou, Qiuju
;
Li, Lin
;
Zhang, Hong
;
Sun, Hongxia
;
Guan, Aijiao
;
Yang, Qianfan
;
Yang, Shu
;
Xu, Guangzhi
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2015/11/12
G-quadruplex
Groove binding
Non-planar
Alkaloids
ANTICANCER DRUG DESIGN
HUMAN TELOMERIC REPEAT
ANTITUMOR AGENTS
RECOGNITION
NMR
D(TTAGGGT)(4)
INHIBITOR
TARGETS
POTENT
DERIVATIVES
Multiple-Docking and Affinity Fingerprint Methods for Protein Classification and Inhibitors Selection
期刊论文
journal of chemical information and modeling, 2009
Li, Bo
;
Liu, Zhenming
;
Zhang, Liangren
;
Zhang, Lihe
收藏
  |  
浏览/下载:9/0
  |  
提交时间:2015/11/10
SECRETORY PHOSPHOLIPASE A(2)
RHEUMATOID-ARTHRITIS
INDOLE INHIBITORS
DRUG DISCOVERY
INDOLE-3-ACETAMIDES
COMBINATION
DISEASE
SEARCH
基于药效团模型从中草药数据库中搜索gpIIb/IIIa受体抑制剂
其他
2008-01-01
李旭东
;
徐筱杰
;
胡娟
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2015/10/24
药效团模型
中草药数据库
gpIIb/IIIa
3D pharmacophore model
gpIIb/IIIa
Chinese herbal drugs database
Discovery of Multitarget Inhibitors by Combining Molecular Docking with Common Pharmacophore Matching
期刊论文
journal of medicinal chemistry, 2008
Wei, Dengguo
;
Jiang, Xiaolu
;
Zhou, Lu
;
Chen, Jing
;
Chen, Zheng
;
He, Chong
;
Yang, Kun
;
Liu, Ying
;
Pei, Jianfeng
;
Lai, Luhua
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2015/11/10
LEUKOTRIENE A(4) HYDROLASE
DESIGNED MULTIPLE LIGANDS
TIGHT-BINDING INHIBITORS
NMDA RECEPTOR ANTAGONIST
DRUG DISCOVERY
POTENT INHIBITORS
LTA(4) HYDROLASE
LOW-AFFINITY
NETWORK
ANALOGS
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