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上海药物研究所 [14]
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复旦大学上海医学院 [8]
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浏览/检索结果:
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Deep Learning Based Drug Screening for Novel Coronavirus 2019-nCov
期刊论文
INTERDISCIPLINARY SCIENCES-COMPUTATIONAL LIFE SCIENCES, 2020, 页码: 9
作者:
Zhang, Haiping
;
Saravanan, Konda Mani
;
Yang, Yang
;
Hossain, Md Tofazzal
;
Li, Junxin
收藏
  |  
浏览/下载:217/0
  |  
提交时间:2020/12/10
Coronavirus
Deep learning
Drug screening
Homology modeling
3C-like protease
Synthesis, antifungal activity and potential mechanism of fusidic acid derivatives possessing amino-terminal groups
期刊论文
FUTURE MEDICINAL CHEMISTRY, 2020, 卷号: 12, 期号: 9, 页码: 763-774
作者:
Cao, Yucheng
;
Ni, Jingxuan
;
Ji, Wentao
;
Shang, Kangle
;
Liang, Kaicheng
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2020/12/24
antifungal activity
fusidic acid
homology modeling
molecular docking
molecular dynamics simulations
Discovery of a potent and selective adenylyl cyclase type 8 agonist by docking-based virtual screening
期刊论文
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, 2020, 卷号: 30, 期号: 2, 页码: 7
作者:
Weng, Zhiying
;
Xu, Guowei
;
Chen, Dingyuan
;
Yang, Yaqing
;
Song, Gao
收藏
  |  
浏览/下载:17/0
  |  
提交时间:2020/03/18
Adenylyl cyclases
Homology modeling
Consensus scoring
Molecular dynamics simulation
Virtual screening
Biological evaluation
Simulative structure and binding sites of lyral with olfactory receptor 10J5 using computational prediction methods
期刊论文
JOURNAL OF TOXICOLOGY AND ENVIRONMENTAL HEALTH-PART A-CURRENT ISSUES, 2020, 卷号: 83, 期号: 1, 页码: 1-8
作者:
Wang, P (Wang, Pu)[ 1 ]
;
Zhang, R (Zhang, Rui)[ 2,3 ]
;
Yu, SB (Yu, Shunbang)[ 1 ]
;
Lee, C (Lee, Charles)[ 4 ]
;
Wang, H (Wang, He)[ 1 ]
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  |  
浏览/下载:27/0
  |  
提交时间:2020/03/16
Homology modeling
ligand docking
binding sites
olfactory receptor
lyral
Homology modeling and 3D-QSAR study of benzhydrylpiperazine delta opioid receptor agonists
期刊论文
COMPUTATIONAL BIOLOGY AND CHEMISTRY, 2019, 卷号: 83, 页码: 9
作者:
Pan, Chenling
;
Meng, Hao
;
Zhang, Shuqun
;
Zuo, Zhili
;
Shen, Yuehai
收藏
  |  
浏览/下载:24/0
  |  
提交时间:2020/03/18
delta opioid receptor agonists
3D-QSAR
Homology modeling
Molecular dynamics simulation
Molecular docking
Zebrafish olfactory receptors ORAs differentially detect bile acids and bile salts
期刊论文
JOURNAL OF BIOLOGICAL CHEMISTRY, 2019, 卷号: 294, 期号: 17
作者:
Cong, Xiaojing
;
Zheng, Qian
;
Ren, Wenwen
;
Cheron, Jean-Baptiste
;
Fiorucci, Sebastien
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  |  
浏览/下载:22/0
  |  
提交时间:2019/12/05
site-directed mutagenesis
receptor structure-function
molecular docking
molecular dynamics
homology modeling
behavioral assay
fish ORA
olfactory receptor
Homology Modeling-Based in Silico Affinity Maturation Improves the Affinity of a Nanobody.
期刊论文
International Journal of Molecular Sciences, 2019, 卷号: Vol.20 No.17, 页码: 4187
作者:
Cheng, Xin
;
Wang, Jiewen
;
Kang, Guangbo
;
Hu, Min
;
Yuan, Bo
收藏
  |  
浏览/下载:11/0
  |  
提交时间:2019/11/21
homology modeling
in vitro affinity maturation
nanobody
rational design
Zebrafish Olfactory Receptors ORAs Differentially Detect Bile Acids and Bile Salts
期刊论文
The Journal of biological chemistry, 2019
作者:
Cong Xiaojing[1]
;
Zheng Qian[2]
;
Ren Wenwen[3]
;
Chéron Jean-Baptiste[4]
;
Fiorucci Sébastien[5]
收藏
  |  
浏览/下载:31/0
  |  
提交时间:2019/04/22
behavioral assay
fish ORA
homology modeling
molecular docking
molecular dynamics
olfactory receptor
receptor structure-function
site-directed mutagenesis
Expression patterns and ligand binding characterization of Plus-C odorant-binding protein 14 from Adelphocoris lineolatus
期刊论文
COMPARATIVE BIOCHEMISTRY AND PHYSIOLOGY B-BIOCHEMISTRY & MOLECULAR BIOLOGY, 2019, 卷号: Vol.227, 页码: 75-82
作者:
Sun, Liang
;
Li, Yu
;
Zhang, Ziding
;
Guo, Huawei
;
Xiao, Qiang
收藏
  |  
浏览/下载:8/0
  |  
提交时间:2019/12/17
Odorant-binding
protein
Plus-C
subfamily
Expression
patterns
Ligand
binding
Homology
modeling,
molecular
docking
Molecular dynamics simulation of beta-adrenoceptors and their coupled G proteins
期刊论文
EUROPEAN REVIEW FOR MEDICAL AND PHARMACOLOGICAL SCIENCES, 2019, 卷号: 23, 期号: 14, 页码: 6346-6351
作者:
Li, Z-Y
;
Su, C-Y
;
Ding, B.
收藏
  |  
浏览/下载:7/0
  |  
提交时间:2019/12/11
GPCR
Homology modeling
Molecular dynamics simulation
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