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科研机构
北京大学 [38]
内容类型
期刊论文 [34]
其他 [4]
发表日期
2017 [3]
2016 [1]
2014 [2]
2013 [2]
2012 [1]
2011 [5]
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专题:北京大学
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Investigation of the interactions between methylene blue and intramolecular G-quadruplexes: an explicit distinction in electrochemical behavior
期刊论文
ANALYST, 2017
Cao, Ting
;
Zhang, Fang-Ting
;
Cai, Liang-Yuan
;
Zhou, Ying-Lin
;
Buurma, Niklaas J.
;
Zhang, Xin-Xiang
收藏
  |  
浏览/下载:36/0
  |  
提交时间:2017/12/03
HUMAN TELOMERIC DNA
STRUCTURAL BASIS
BINDING
LIGAND
PROBE
DRUG
VISUALIZATION
OPTIMIZATION
COMPLEXES
BIOSENSOR
Computational design of ligand-binding proteins
期刊论文
CURRENT OPINION IN STRUCTURAL BIOLOGY, 2017
Yang, Wei
;
Lai, Luhua
收藏
  |  
浏览/下载:108/0
  |  
提交时间:2017/12/03
ENZYME DESIGN
TRANSCRIPTION FACTORS
MOLECULAR-DYNAMICS
HIGH-AFFINITY
DOCKING
SPECIFICITY
SELECTIVITY
TARGETS
SITES
Statistical Analysis and Prediction of Covalent Ligand Targeted Cysteine Residues
期刊论文
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2017
Zhang, Weilin
;
Pei, Jianfeng
;
Lai, Luhua
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2017/12/03
AMINO-ACID ALPHABET
PROTEIN DATA-BANK
ALLOSTERIC DRUGS
RATIONAL DESIGN
BINDING-SITES
DOCKING
DISCOVERY
IDENTIFICATION
INHIBITORS
INFORMATION
Simultaneous Optimization of Biomolecular Energy Functions on Features from Small Molecules and Macromolecules
期刊论文
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2016
Park, Hahnbeom
;
Bradley, Philip
;
Greisen, Per, Jr.
;
Liu, Yuan
;
Mulligan, Vikram Khipple
;
Kim, David E.
;
Baker, David
;
DiMaio, Frank
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2017/12/03
FORCE-FIELD
SIDE-CHAIN
DYNAMICS SIMULATIONS
PROTEIN SIMULATIONS
POTENTIAL FUNCTIONS
LIQUID WATER
PREDICTION
MODEL
SOLVENT
SPECIFICITY
In silico search for multi- target therapies for osteoarthritis based on 10 common Huoxue Huayu herbs and potential applications to other diseases
期刊论文
molecular medicine reports, 2014
Zheng, Chun-Song
;
Zhuang, Zhi-Qiang
;
Xu, Xiao-Jie
;
Ye, Jin-Xia
;
Ye, Hong-Zhi
;
Li, Xi-Hai
;
Wu, Guang-Wen
;
Xu, Hui-Feng
;
Liu, Xian-Xiang
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2015/11/16
osteoarthritis
multi-target therapy
Huoxue Huayu herbs
computational simulation
DRUG DISCOVERY
PROLIFERATION
INFLAMMATION
INHIBITION
MEDICINES
NETWORKS
DATABASE
PATHWAY
Molecular docking and molecular dynamics studies on the structure-activity relationship of fluoroquinolone for the HERG channel
期刊论文
分子生物系统, 2014
Luo, Fang
;
Gu, Jiangyong
;
Chen, Lirong
;
Xu, Xiaojie
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2015/11/10
POLYMORPHIC VENTRICULAR-TACHYCARDIA
INTERVAL PROLONGATION
POTASSIUM CHANNEL
FREE-ENERGY
K+ CHANNEL
CARDIAC-ARRHYTHMIA
LIGAND-BINDING
QT INTERVAL
FORCE-FIELD
DRUG
Computational pharmacological comparison of Salvia miltiorrhiza and Panax notoginseng used in the therapy of cardiovascular diseases
期刊论文
experimental and therapeutic medicine, 2013
Zheng, Chun-Song
;
Xu, Xiao-Jie
;
Ye, Hong-Zhi
;
Wu, Guang-Wen
;
Xu, Hui-Feng
;
Li, Xi-Hai
;
Huang, Su-Ping
;
Liu, Xian-Xiang
收藏
  |  
浏览/下载:6/0
  |  
提交时间:2015/11/16
Salvia miltiorrhiza
Panax notoginseng
cardiovascular disease
computational pharmacology
TRADITIONAL CHINESE MEDICINE
DRUG DISCOVERY
NETWORK
OSTEOARTHRITIS
VISUALIZATION
Computational Identification of a New Binding Site in Influenza Virus Hemagglutinin for Membrane Fusion Inhibitors
期刊论文
chemical biology drug design, 2013
Sun, Lidan
;
Tian, Feng
;
Feng, Baosheng
;
Liu, Zhenming
;
Zhang, Liangren
;
Pei, Jianfeng
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2015/11/10
binding site
drug resistance
hemagglutinin
influenza virus
membrane fusion inhibitors
A VIRUS
VIRAL FUSION
DESIGN
DERIVATIVES
RESISTANCE
MECHANISM
PROTEINS
ORIGIN
ENTRY
PH
复方心可舒治疗冠心病多靶点作用的分子对接
期刊论文
物理化学学报, 2012
胡衍保
;
彭静波
;
顾硕
;
裴剑锋
;
邹忠梅
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2015/11/12
分子对接
心可舒
中药复方
冠心病
多靶点作用
富集因子
Docking
Xin-Ke-Shu
Traditional Chinese medicine
Coronary heart disease
Multi-target effect
Enrichment factor
Potential synergistic and multitarget effect of herbal pair Chuanxiong Rhizome-Paeonia Albifora Pall on osteoarthritis disease: A computational pharmacology approach
期刊论文
chinese journal of integrative medicine, 2011
Ye Hong-zhi
;
Zheng Chun-song
;
Xu Xiao-jie
;
Wu Ming-xia
;
Liu Xian-xiang
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2015/11/12
herbal pair Chuanxiong Rhizome-Paeonia Albifora Pall
chemical space
virtual screening
target space
computational pharmacology
osteoarthritis
TOUGU XIAOTONG GRANULE
INFLAMMATION
NETWORKS
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