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科研机构
复旦大学上海医学院 [64]
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期刊论文 [64]
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2019 [7]
2018 [5]
2017 [6]
2016 [5]
2015 [2]
2014 [8]
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专题:复旦大学上海医学院
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Norepinephrine Inhibits Alzheimer's Amyloid-beta Peptide Aggregation and Destabilizes Amyloid-beta Protofibrils: A Molecular Dynamics Simulation Study
期刊论文
ACS CHEMICAL NEUROSCIENCE, 2019, 卷号: 10, 期号: 3
作者:
Qian, Zhenyu
;
Chen, Yujie
;
Qian, Hongsheng
;
Zhang, Qingwen
;
Wei, Guanghong
收藏
  |  
浏览/下载:29/0
  |  
提交时间:2019/12/05
Replica exchange method
molecular dynamics simulations
amyloid-beta
protein aggregation
norepinephrine
inhibitory and disruptive mechanisms
In Silico Identification of Novel Aromatic Compounds as Potential HIV-1 Entry Inhibitors Mimicking Cellular Receptor CD4
期刊论文
VIRUSES-BASEL, 2019, 卷号: 11, 期号: 8
作者:
Kornoushenko, Yuri V.
;
Tuzikov, Alexander V.
;
Jiang, Shibo
;
Andrianov, Alexander M.
;
Nikolaev, Grigory I.
收藏
  |  
浏览/下载:19/0
  |  
提交时间:2019/12/05
HIV-1 gp120 protein
cellular receptor CD4
CD4-mimetics
virtual screening
in silico click chemistry
molecular docking
quantum chemical calculations
molecular dynamics simulations
binding free energy calculations
anti-HIV-1 drugs
A CPU/MIC Collaborated Parallel Framework for GROMACS on Tianhe-2 Supercomputer
期刊论文
IEEE-ACM TRANSACTIONS ON COMPUTATIONAL BIOLOGY AND BIOINFORMATICS, 2019, 卷号: 16, 期号: 2
作者:
Peng, Shaoliang
;
Cui, Yingbo
;
Yang, Shunyun
;
Su, Wenhe
;
Zhang, Xiaoyu
收藏
  |  
浏览/下载:11/0
  |  
提交时间:2019/12/05
GROMACS
molecular dynamics simulation
high performance computing
parallel framework
The mechanical effects of CRT promoting autophagy via mitochondrial calcium uniporter down-regulation and mitochondrial dynamics alteration
期刊论文
JOURNAL OF CELLULAR AND MOLECULAR MEDICINE, 2019, 卷号: 23, 期号: 6
作者:
Yu, Ziqing
;
Gong, Xue
;
Yu, Yong
;
Li, Minghui
;
Liang, Yixiu
收藏
  |  
浏览/下载:28/0
  |  
提交时间:2019/12/05
autophagy
cardiac resynchronization therapy
heart failure
mitochondria
mitochondrial calcium uniporter
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
收藏
  |  
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
Structural Features and Energetics of the Periplasmic Entrance Opening of the Outer Membrane Channel TolC Revealed by Molecular Dynamics Simulation and Markov State Model Analysis
期刊论文
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2019, 卷号: 59, 期号: 5
作者:
Wang, Wenning
;
Weng, Jingwei
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2019/12/05
Mitophagy and mitochondrial integrity in cardiac ischemia-reperfusion injury
期刊论文
BIOCHIMICA ET BIOPHYSICA ACTA-MOLECULAR BASIS OF DISEASE, 2019, 卷号: 1865, 期号: 9
作者:
Yang, Mingjie
;
Linn, Becky S.
;
Zhang, Yingmei
;
Ren, Jun
收藏
  |  
浏览/下载:18/0
  |  
提交时间:2019/12/05
Mitochondrial quality control
Mitochondrial dynamics
Mitochondrial fusion and fission
Autophagy
Mitochondrial turnover
Hypoxia-reoxygenation
The Inhibitory Effect of Hydroxylated Carbon Nanotubes on the Aggregation of Human Islet Amyloid Polypeptide Revealed by a Combined Computational and Experimental Study
期刊论文
ACS CHEMICAL NEUROSCIENCE, 2018, 卷号: 9, 期号: 11
作者:
Mo, Yuxiang
;
Brahmachari, Sayanti
;
Lei, Jiangtao
;
Gilead, Sharon
;
Tang, Yiming
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2019/12/05
protein aggregation
human islet amyloid polypeptide
hydroxylated carbon nanotubes
inhibitory mechanism
replica exchange molecular dynamics simulations
TEM experiment
Exploring the Mechanism of Inhibition of Au Nanoparticles on the Aggregation of Amyloid-(16-22) Peptides at the Atom Level by All-Atom Molecular Dynamics
期刊论文
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2018, 卷号: 19, 期号: 6
作者:
Song, Menghua
;
Sun, Yunxiang
;
Luo, Yin
;
Zhu, Yanyan
;
Liu, Yongsheng
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2019/12/05
Au nanoparticles
amyloid beta
peptide aggregation
inhibition mechanism
hydrophobic interaction
all-atom molecular dynamics simulations
Replica Exchange Molecular Dynamics: A Practical Application Protocol with Solutions to Common Problems and a Peptide Aggregation and Self-Assembly Example.
期刊论文
Methods in molecular biology (Clifton, N.J.), 2018, 卷号: 1777
作者:
Qi Ruxi
;
Wei Guanghong
;
Ma Buyong
;
Nussinov Ruth
收藏
  |  
浏览/下载:14/0
  |  
提交时间:2019/12/05
Free energy landscape
GROMACS
Human islet amyloid polypeptide
Molecular dynamics simulations
Protein aggregation
REMD
Replica exchange method
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