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中国科学院昆明植物研究所知识管理系统
Knowledge Management System of Kunming Institute of Botany,CAS
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Which species does the virus like most: Binding modes study between SARS-CoV-2 S protein and ACE2 receptor
期刊论文
JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2021, 卷号: 105, 页码: 107893
Authors:
Guo,Sheng
;
Yang,Jing
;
Lei,Yu
;
Liu,Bin
;
Zhang,Wei
;
Zhang,Li
;
Zuo,Zhili
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View/Download:15/0
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Submit date:2022/04/02
SARS-CoV-2
COVID-19
Homology modeling
Molecular dynamics simulation
Binding free energy
CORONAVIRUS SPIKE PROTEIN
ACTIVATION
GROMACS
ENTRY
Discovery of novel modulators targeting human TRPC5: Docking-based virtual screening, molecular dynamics simulation and binding af fi nity predication
期刊论文
JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2021, 卷号: 102, 页码: 107795
Authors:
Liu,Bin
;
Zhang,Wei
;
Guo,Sheng
;
Zuo,Zhili
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View/Download:16/0
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Submit date:2022/04/02
hTRPC5
Homology modeling
Molecular docking
Molecular dynamics simulation
Virtual screening
INHIBITOR
CHANNELS
GROMACS
POTENT
AMBER
IDENTIFICATION
CONSTRAINTS
INTEGRATION
AMYGDALA
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
Authors:
Weng, Zhiying
;
Xu, Guowei
;
Chen, Dingyuan
;
Yang, Yaqing
;
Song, Gao
;
Shen, Wen
;
Zhang, Shuqun
;
Wang, LiangLiang
;
Yang, Weimin
;
Zuo, Zhili
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View/Download:88/0
  |  
Submit date:2020/03/18
Adenylyl cyclases
Homology modeling
Consensus scoring
Molecular dynamics simulation
Virtual screening
Biological evaluation
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
Authors:
Pan, Chenling
;
Meng, Hao
;
Zhang, Shuqun
;
Zuo, Zhili
;
Shen, Yuehai
;
Wang, Liangliang
;
Chang, Kwen-Jen
Adobe PDF(1542Kb)
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View/Download:88/21
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Submit date:2020/03/18
delta opioid receptor agonists
3D-QSAR
Homology modeling
Molecular dynamics simulation
Molecular docking
S-selective hydroxynitrile lyase from a plant Baliospermum montanum: Molecular characterization of recombinant enzyme
期刊论文
JOURNAL OF BIOTECHNOLOGY, 2011, 卷号: 153, 期号: 3-4, 页码: 100-110
Authors:
Dadashipour, Mohammad
;
Yamazaki, Mizue
;
Momonoi, Kazumi
;
Tamura, Ken'ichirou
;
Fuhshuku, Ken-ichi
;
Kanase, Yurina
;
Uchimura, Etsuzoh
;
Guan Kaiyun
;
Asano, Yasuhisa
Adobe PDF(855Kb)
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View/Download:418/190
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Submit date:2012/04/10
S-selective Hydroxynitrile Lyase
Substrate Specificity
Characterization
Molecular Cloning
Homology Modeling
Alanine Scanning