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上海药物研究所 [11]
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期刊论文 [86]
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Comparisons of three kinds of plane wave methods for the Helmholtz equation and time-harmonic Maxwell equations with complex wave numbers
期刊论文
JOURNAL OF COMPUTATIONAL AND APPLIED MATHEMATICS, 2018, 卷号: 344, 页码: 323-345
作者:
Yuan, Long
;
Hu, Qiya
收藏
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浏览/下载:27/0
  |  
提交时间:2018/09/08
Helmholtz equation
Time-harmonic Maxwell's equations
Well posedness
Electromagnetic wave
Plane wave basis
Error estimates
Molecular modelling studies on cinnoline-based BTK inhibitors using docking and structure-based 3D-QSAR
期刊论文
SAR AND QSAR IN ENVIRONMENTAL RESEARCH, 2018, 卷号: 29, 期号: 11, 页码: 847-873
作者:
Li, R.
;
Du, Y.
;
Shen, J.
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  |  
浏览/下载:36/0
  |  
提交时间:2019/01/08
BTK inhibitors
B-cell malignancies
molecule docking
3D-QSAR
CoMFA
CoMSIA
CFD simulation of pressure wave propagation in the helium coolant tube break accident of DFLL-TBM
期刊论文
FUSION ENGINEERING AND DESIGN, 2018, 卷号: 136, 页码: 950-957
作者:
Sun, Qian
;
Peng, Tianji
;
Zhou, Zhiwei
;
Chen, Zhibin
;
Wang, Shisheng
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  |  
浏览/下载:44/0
  |  
提交时间:2019/10/09
DFLL-TBM
In-TBM Breeder Box Coolant Leak
Liquid lithium lead
Pressure propagation
CFD
CFD simulation of pressure wave propagation in the helium coolant tube break accident of DFLL-TBM
期刊论文
FUSION ENGINEERING AND DESIGN, 2018, 卷号: 136, 期号: 无, 页码: 950-957
作者:
Sun, Qian
;
Peng, Tianji
;
Zhou, Zhiwei
;
Chen, Zhibin
;
Wang, Shisheng
收藏
  |  
浏览/下载:26/0
  |  
提交时间:2019/12/25
DFLL-TBM
In-TBM Breeder Box Coolant Leak
Liquid lithium lead
Pressure propagation
CFD
Research on positioning method of industrial wireless sensor networks
期刊论文
EURASIP JOURNAL ON WIRELESS COMMUNICATIONS AND NETWORKING, 2018
作者:
Yang, Qingjun
;
Ji, Dongsheng
;
Yao, Yukai
;
Zhang, Enzhan
;
Chen, Xiaoyun
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  |  
浏览/下载:6/0
  |  
提交时间:2019/11/15
Localization method
Industrial wireless sensor networks
Narrow channel
Application of ITC-Based Characterization of Thermodynamic and Kinetic Association of Ligands With Proteins in Drug Design
期刊论文
FRONTIERS IN PHARMACOLOGY, 2018, 卷号: 9
作者:
Su, Haixia
;
Xu, Yechun
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  |  
浏览/下载:16/0
  |  
提交时间:2019/01/08
ITC
thermodynamics
kinetics
protein-ligand recognition
drug design
Strain tunable ionic transport properties and electrochemical window of Li10GeP2S12 superionic conductor
期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2018, 卷号: 153, 页码: 170-175
作者:
Chen, Bingbing
;
Ju, Jiangwei
;
Ma, Jun
;
Du, Huiping
;
Xiao, Ruijuan
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  |  
浏览/下载:58/0
  |  
提交时间:2018/12/21
Strain
Ionic transport
Solid electrolyte
First principles
All-solid-state lithium batteries
Pharmacophore modeling, molecular docking and molecular dynamics simulations toward identifying lead compounds for Chk1
期刊论文
COMPUTATIONAL BIOLOGY AND CHEMISTRY, 2018, 卷号: 76, 页码: 53-60
作者:
Li, Yaping
;
Peng, Jiale
;
Zhou, Yeheng
;
Li, Penghua
;
Li, Yingying
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  |  
浏览/下载:29/0
  |  
提交时间:2018/11/12
Checkpoint kinase 1 inhibitor
Virtual screening
Pharmacophore modeling
Molecular docking
Molecular dynamics simulations
Artificial intelligence in drug design
期刊论文
SCIENCE CHINA-LIFE SCIENCES, 2018, 卷号: 61, 期号: 10, 页码: 1191-1204
作者:
Zhong, Feisheng
;
Xing, Jing
;
Li, Xutong
;
Liu, Xiaohong
;
Fu, Zunyun
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  |  
浏览/下载:28/0
  |  
提交时间:2019/01/08
drug design
artificial intelligence
deep learning
QSAR
ADME/T
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