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A spectroscopic approach to identifying the out-of-plane conformations of Ni(II) meso-tetraphenylporphyrin in solution
期刊论文
JOURNAL OF MOLECULAR STRUCTURE, 2022, 卷号: 1269
作者:
Wang, Shenhao
;
Huang, Qing
收藏
  |  
浏览/下载:16/0
  |  
提交时间:2022/12/23
NiTPP
Out-of-plane deformations
DFT
Molecular dynamics
Raman spectroscopy
1 H-NMR
Switching Electrolyte Interfacial Model to Engineer Solid Electrolyte Interface for Fast Charging and Wide-Temperature Lithium-Ion Batteries
期刊论文
Advanced Science, 2022
作者:
Liu, Gang
;
Cao, Zhen
;
Wang, Peng
;
Ma, Zheng
;
Zou, Yeguo
收藏
  |  
浏览/下载:21/0
  |  
提交时间:2022/08/09
Charging (batteries)
Ethers
Graphite electrodes
Lithium compounds
Metal ions
Metals
Seebeck effect
Solid electrolytes
Solid-State Batteries
Battery systems
Carbonate-based electrolytes
Electrolyte solvation structure
Fast charging
Interfacial modeling
Performance
Solid electrolyte interfaces
Solid electrolyte interphase
Solvation structure
Wide-temperature
Different conformational responses of the beta(2)-adrenergic receptor-Gs complex upon binding of the partial agonist salbutamol or the full agonist isoprenaline
期刊论文
NATIONAL SCIENCE REVIEW, 2021, 卷号: 8
作者:
Yang, Fan
;
Ling, Shenglong
;
Zhou, Yingxin
;
Zhang, Yanan
;
Lv, Pei
收藏
  |  
浏览/下载:43/0
  |  
提交时间:2021/11/01
cryo-EM structure
G protein-coupled receptor (GPCR)
partial and full agonists
conformational change
desensitization
Mapping the morphological identifiers of distinct conformations via the protein translocation current in nanopores
期刊论文
NANOSCALE, 2021, 卷号: 13, 期号: 12, 页码: 14
作者:
Zhang, Mingkun
;
Chen, Shenbao
;
Hu, Jinrong
;
Ding, Qihan
;
Li, Linda
收藏
  |  
浏览/下载:21/0
  |  
提交时间:2021/05/17
Mapping the morphological identifiers of distinct conformations via the protein translocation current in nanopores
期刊论文
NANOSCALE, 2021, 卷号: 13, 期号: 12, 页码: 14
作者:
Zhang MK(张明坤)
;
Chen SB(陈深宝)
;
Hu JR(胡锦荣)
;
Ding QH(丁奇寒)
;
Li LD(李林达)
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  |  
浏览/下载:26/0
  |  
提交时间:2021/05/17
Ligand-based approach for predicting drug targets and for virtual screening against COVID-19
期刊论文
BRIEFINGS IN BIOINFORMATICS, 2021, 卷号: 22, 期号: 2, 页码: 1053-1064
作者:
Yang, Yanqing
;
Zhu, Zhengdan
;
Wang, Xiaoyu
;
Zhang, Xinben
;
Mu, Kaijie
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  |  
浏览/下载:26/0
  |  
提交时间:2021/11/16
D3Similarity
COVID-19
target prediction
database
virtual screening
Exploring the structural transition mechanisms of a pair of poly(N-isopropylacrylamide) chains in aqueous solution through coarse-grained molecular simulations coupled with metadynamics
期刊论文
MOLECULAR SIMULATION, 2021, 页码: 10
作者:
Yang, Xue-Dan
;
Chen, Wei
;
Ren, Ying
;
Chu, Liang-Yin
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  |  
浏览/下载:25/0
  |  
提交时间:2021/03/29
Poly(N-isopropylacrylamide)
Coarse-grained molecular dynamics
free energy
metadynamics
Unveiling conformational dynamics changes of H-Ras induced by mutations based on accelerated molecular dynamics
期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2020, 卷号: 22, 期号: 37, 页码: 21238-21250
作者:
Chen, Jianzhong
;
Wang, Wei
;
Pang, Laixue
;
Zhu, Weiliang
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  |  
浏览/下载:27/0
  |  
提交时间:2020/12/21
Mechanistic in silico modeling of bisphenols to predict estrogen and glucocorticoid disrupting potentials
期刊论文
SCIENCE OF THE TOTAL ENVIRONMENT, 2020, 卷号: 728, 页码: 1-11
作者:
Chen, Qinchang
;
Zhou, Chengzhuo
;
Shi, Wei
;
Wang, Xiaoxiang
;
Xia, Pu
收藏
  |  
浏览/下载:20/0
  |  
提交时间:2021/09/14
Endocrine disruptor
Estrogen receptor
Glucocorticoid receptor
Coregulators
Accelerated molecular dynamics simulations
Binding free energy
Investigation of the remote acyl group participation in glycosylation from conformational perspectives by using trichloroacetimidate as the acetyl surrogate
期刊论文
ORGANIC CHEMISTRY FRONTIERS, 2020, 卷号: 7, 期号: 13, 页码: 1606-1615
作者:
Xu, Ke
;
Man, Qingmin
;
Zhang, Yang
;
Guo, Jia
;
Liu, Yichu
收藏
  |  
浏览/下载:15/0
  |  
提交时间:2020/12/24
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