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昆明植物研究所 [7]
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四川大学 [4]
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期刊论文 [36]
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Alkylation of benzene with methanol to toluene over Na-3-H-Y: analysis of four aspects for obtaining reaction mechanism
期刊论文
JOURNAL OF INCLUSION PHENOMENA AND MACROCYCLIC CHEMISTRY, 2020, 卷号: 97, 期号: 3-4, 页码: 147-157
作者:
Dong, Peng
;
Meng, Jiale
;
Yun, Hongfei
;
Li, Guixian
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2020/06/03
Benzene
methanol reaction
Toluene
Reaction mechanism
Thermodynamic calculation
Density functional method
The miracle role of lattice imperfections in benzene alkylation with methanol over mordenite
期刊论文
JOURNAL OF THE CHINESE CHEMICAL SOCIETY, 2020, 卷号: 67, 期号: 8, 页码: 1423-1430
作者:
Yun, Hongfei
;
Meng, Jiale
;
Li, Guixian
;
Dong, Peng
收藏
  |  
浏览/下载:21/0
  |  
提交时间:2020/06/02
benzene methylation
lattice imperfections
MOR
toluene
Design, synthesis and biological evaluation of novel copper-chelating acetylcholinesterase inhibitors with pyridine and N-benzylpiperidine fragments
期刊论文
BIOORGANIC CHEMISTRY, 2019, 卷号: 93, 页码: 13
作者:
Zhou, Yeheng
;
Sun, Wei
;
Peng, Jiale
;
Yan, Hui
;
Zhang, Li
收藏
  |  
浏览/下载:14/0
  |  
提交时间:2020/03/18
Acetylcholinesterase
Drug design
N-acylhydrazone
Dementia
Copper-chelating
N-Benzylpiperidine
Identification of potential AMPK activator by pharmacophore modeling, molecular docking and QSAR study
期刊论文
COMPUTATIONAL BIOLOGY AND CHEMISTRY, 2019, 卷号: 79, 页码: 165-176
作者:
Li, Yingying
;
Peng, Jiale
;
Li, Penghua
;
Du, Haibo
;
Li, Yaping
收藏
  |  
浏览/下载:64/0
  |  
提交时间:2019/07/29
Pharmacophore modeling
Molecular docking
Quantitative structure activity relationship (QSAR)
Molecular dynamics
AMPK
Activator
Discovery of novel indoleamine 2,3-dioxygenase 1 (IDO1) inhibitors by virtual screening
期刊论文
COMPUTATIONAL BIOLOGY AND CHEMISTRY, 2019, 卷号: 78, 页码: 306-316
作者:
Zhou, Yeheng
;
Peng, Jiale
;
Li, Penghua
;
Du, Haibo
;
Li, Yaping
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  |  
浏览/下载:57/0
  |  
提交时间:2019/03/25
IDO1
Molecular docking
HipHop pharmacophore
3D-QSAR
PAINS
Characteristics comparison of tar from lignite pyrolysis with inherent and simulated moisture for adopting a two-stage gasification process
期刊论文
FUEL, 2019, 卷号: 236, 页码: 695-708
作者:
Zhang, Lijuan
;
Zeng, Xi
;
Wang, Jiale
;
Wang, Fang
;
Zhang, Jianling
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  |  
浏览/下载:62/0
  |  
提交时间:2018/12/04
Low rank coal
Two-stage gasification
Fluidized bed
Pyrolysis
Inherent moisture
Discovery of novel indoleamine 2,3-dioxygenase 1 inhibitors by virtual screening
期刊论文
Computational Biology and Chemistry, 2019, 卷号: Vol.78, 页码: 306-316
作者:
Yeheng Zhou
;
Jiale Peng
;
Penghua Li
;
Haibo Du
;
Yaping Li
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  |  
浏览/下载:23/0
  |  
提交时间:2019/02/25
IDO1
Molecular
docking
HipHop
pharmacophore
3D-QSAR
PAINS
Novel loss‑of‑function mutation in BRCA2 gene identified in a Chinese female with a family history of ovarian cancer: A case report
期刊论文
Oncology Letters, 2019, 卷号: Vol.17 No.3, 页码: 3350-3354
作者:
Yanzhi Cui
;
Yanyan Wang
;
Ningzhi Zhang
;
Jun He
;
Hui Huang
收藏
  |  
浏览/下载:23/0
  |  
提交时间:2019/12/17
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
收藏
  |  
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
Clean water generation with switchable dispersion of multifunctional Fe3O4-reduced graphene oxide particles
期刊论文
PROGRESS IN NATURAL SCIENCE-MATERIALS INTERNATIONAL, 2018
作者:
Zhao, Ruijie
;
Xu, Jiale
;
Tao, Peng
;
Shi, Fenglei
;
Yu, Fan
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  |  
浏览/下载:87/0
  |  
提交时间:2019/01/31
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