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Chinese Academy of Sciences Institutional Repositories Grid
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CAS IR Grid
机构
上海药物研究所 [3]
化学研究所 [2]
大连化学物理研究所 [1]
中国科学院大学 [1]
生态环境研究中心 [1]
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OAI收割 [7]
iSwitch采集 [1]
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期刊论文 [8]
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2022 [1]
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2012 [1]
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Evaluation of the binding performance of flavonoids to estrogen receptor alpha by Autodock, Autodock Vina and Surflex-Dock
期刊论文
OAI收割
ECOTOXICOLOGY AND ENVIRONMENTAL SAFETY, 2022, 卷号: 233, 期号: 0, 页码: 113323
作者:
Xue, Qiao
;
Liu, Xian
;
Russell, Paul
;
Li, Jin
;
Pan, Wenxiao
  |  
收藏
  |  
浏览/下载:21/0
  |  
提交时间:2022/11/08
PROTEIN-LIGAND DOCKING
MOLECULAR DOCKING
DISCOVERY
FRAMEWORK
DYNAMICS
AFFINITY
Discovery and structural optimization of 4-(4-(benzyloxy) phenyl)-3,4-dihydropyrimidin-2(1H)-ones as RORc inverse agonists
期刊论文
OAI收割
ACTA PHARMACOLOGICA SINICA, 2016, 卷号: 37, 期号: 11, 页码: 1516
作者:
Wu Xishan
;
Wang Rui
;
Xing Yanli
;
Xue Xiaoqian
;
Zhang Yan
  |  
收藏
  |  
浏览/下载:94/0
  |  
提交时间:2020/12/24
GAMMA-T
ORPHAN RECEPTORS
CELL-DIFFERENTIATION
LIGAND
IDENTIFICATION
MODULATORS
DERIVATIVES
PROTEIN
INHIBITORS
DOCKING
nuclear receptor
RORc
inverse agonist
SAR
structure-based optimization
autoimmune disease
Understanding the chiral recognitions between neuraminidases and inhibitors: Studies with DFT, docking, and MD methods
期刊论文
OAI收割
international journal of quantum chemistry, 2012, 卷号: 112, 期号: 3, 页码: 909-921
作者:
Yang, Zhiwei
;
Wu, Xiaomin
;
Yang, Gang
;
Zu, Yuangang
;
Zhou, Lijun
收藏
  |  
浏览/下载:22/0
  |  
提交时间:2015/11/09
docking
neuraminidase
protein-ligand interactions
relative stability
stereoisomer
Investigation on the interaction between a heterocyclic aminal derivative, SBDC, and human serum albumin
期刊论文
OAI收割
COLLOIDS AND SURFACES B-BIOINTERFACES, 2008, 卷号: 61, 期号: 1, 页码: 75-80
作者:
Zhou, Qiuju
;
Xiang, Junfeng
;
Tang, Yalin
;
Liao, Jiangpeng
;
Yu, Chuyi
  |  
收藏
  |  
浏览/下载:17/0
  |  
提交时间:2019/04/09
Heterocyclic Ketene Aminals
Human Serum Albumin
Fluorescence Quenching
Circular Dichroism
Protein-ligand Docking
Investigation on the interaction between a heterocyclic aminal derivative, sbdc, and human serum albumin
期刊论文
iSwitch采集
Colloids and surfaces b-biointerfaces, 2008, 卷号: 61, 期号: 1, 页码: 75-80
作者:
Zhou, Qiuju
;
Xiang, Junfeng
;
Tang, Yalin
;
Liao, Jiangpeng
;
Yu, Chuyi
收藏
  |  
浏览/下载:34/0
  |  
提交时间:2019/05/10
Heterocyclic ketene aminals
Human serum albumin
Fluorescence quenching
Circular dichroism
Protein-ligand docking
Conformational changes accompanying with the binding of protein and ligand
期刊论文
OAI收割
ACTA CHIMICA SINICA, 2000, 卷号: 58, 期号: 7, 页码: 772-776
作者:
Liu, ZJ
;
Jiang, L
;
Li, WZ
;
Han, YZ
;
Lai, LH
  |  
收藏
  |  
浏览/下载:11/0
  |  
提交时间:2019/04/09
Protein
Ligand
Docking
Loop
Hinge Binding Movement
Induced Fit Effect
Sub - Stable States Hypothesis