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大连化学物理研究所 [11]
北京大学 [7]
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期刊论文 [30]
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Predicting the Molecular Models, Types, and Maturity of Kerogen in Shale Using Machine Learning and Multi-NMR Spectra
期刊论文
ENERGY & FUELS, 2022, 页码: 13
作者:
Kang, Dongliang
;
Zhao, Ya-Pu
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浏览/下载:17/0
  |  
提交时间:2022/08/10
Measuring metagenome diversity and similarity with Hill numbers
期刊论文
Molecular Ecology Resources, 2018, 期号: *, 页码: 1–17
作者:
Zhanshan (Sam) Ma
;
Lianwei Li
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  |  
浏览/下载:53/0
  |  
提交时间:2018/09/26
Hill Numbers
Medical Ecology
Metagenome Diversity
Metagenome Functional Gene Cluster Diversity
Metagenome Similarity
Metagenomic Gene Diversity
Comparative QSAR studies using HQSAR, CoMFA, and CoMSIA methods on cyclic sulfone hydroxyethylamines as BACE1 inhibitors
期刊论文
COMPUTATIONAL BIOLOGY AND CHEMISTRY, 2017, 卷号: 67, 期号: 1, 页码: 38-47
作者:
Zhang, Shuqun
;
Lin, Zichun
;
Pu, Yinglan
;
Zhang, Yunqin
;
Zhang, Li
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  |  
浏览/下载:29/0
  |  
提交时间:2017/05/19
BACE1
AD
HQSAR
CoMFA
CoMSIA
Comparative QSAR studies using HQSAR, CoMFA, and CoMSIA methods on cyclic sulfone hydroxyethylamines as BACE1 inhibitors
期刊论文
COMPUTATIONAL BIOLOGY AND CHEMISTRY, 2017, 卷号: 67, 页码: 38-47
作者:
Zhang, Shuqun
;
Lin, Zichun
;
Pu, Yinglan
;
Zhang, Yunqin
;
Zhang, Li
收藏
  |  
浏览/下载:28/0
  |  
提交时间:2019/01/08
BACE1
AD
HQSAR
CoMFA
CoMSIA
Computational Analysis of Structure-Based Interactions for Novel H-1-Antihistamines
期刊论文
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2016, 卷号: 17, 期号: 1
作者:
Yang, Yinfeng
;
Li, Yan
;
Pan, Yanqiu
;
Wang, Jinghui
;
Lin, Feng
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  |  
浏览/下载:16/0
  |  
提交时间:2019/06/20
3d-qsar
H-1-antihistamines
Docking
Molecular Dynamics
Profiling the Interaction Mechanism of Quinoline/Quinazoline Derivatives as MCHR1 Antagonists: An in Silico Method
期刊论文
international journal of molecular sciences, 2014, 卷号: 15, 期号: 9, 页码: 15475-15502
作者:
Wu, Mingwei
;
Li, Yan
;
Fu, Xinmei
;
Wang, Jinghui
;
Zhang, Shuwei
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  |  
浏览/下载:38/0
  |  
提交时间:2015/11/17
MCHR1
3D-QSAR
molecular docking
MD simulation
Insight into the Structural Features of Pyrazolopyrimidine- and Pyrazolopyridine-based B-Raf(V600E) Kinase Inhibitors by Computational Explorations
期刊论文
chemical biology & drug design, 2014, 卷号: 83, 期号: 6, 页码: 643-655
作者:
Li, Yan
;
Han, Chunxiao
;
Wang, Jinghui
;
Yang, Yinfeng
;
Zhang, Jingxiao
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  |  
浏览/下载:20/0
  |  
提交时间:2015/11/17
B-Raf(V600E) kinase
Pyrazolopyrimidine- and pyrazolopyridine-based inhibitors
3D-QSAR
docking
md
Global Performance and Trend of QSAR/QSPR Research: A Bibliometric Analysis
期刊论文
2014
Li, Li
;
Hu, Jianxin
;
Ho, Yuh-Shan
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  |  
浏览/下载:4/0
  |  
提交时间:2015/11/10
Quantitative structure-activity relationship (QSAR)
Quantitative structure-property relationship (QSPR)
Research trend
SCI-EXPANDED
Scientometrics
SCIENCE-CITATION-INDEX
MOLECULAR SIMILARITY INDEXES
HIV-1 INTEGRASE INHIBITORS
COMSIA 3D QSAR
BIOLOGICAL-ACTIVITY
ELECTROTOPOLOGICAL-STATE
THEORETICAL DESCRIPTORS
PARTITION-COEFFICIENTS
APPLICABILITY DOMAIN
RISK-ASSESSMENT
Insight into the Structural Requirements of Benzimidazole Derivatives as Interleukin-2 Inducible T-cell Kinase Inhibitors by Computational Explorations
期刊论文
international journal of quantum chemistry, 2013, 卷号: 113, 期号: 21, 页码: 2385-2396
作者:
Wang, Jinghui
;
Li, Feng
;
Li, Yan
;
Yang, Yinfeng
;
Wang, Bin
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  |  
浏览/下载:19/0
  |  
提交时间:2015/11/09
3D-QSAR
ITK inhibitors
comparative molecular field analysis
comparative molecular similarity indices analysis
molecular dynamics
docking
Structural Feature Studies on Spiropiperidine Analogues as Agonists of Delta Opioid Receptors
期刊论文
progress in biochemistry and biophysics, 2013, 卷号: 40, 期号: 7, 页码: 668-677
作者:
Gao Wei-Min
;
Li Yan
;
Zhang Shu-Wei
;
Yang Ling
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  |  
浏览/下载:23/0
  |  
提交时间:2015/11/09
N-substituted spiropiperidine analogues
DOR agonist
3D-QSAR
CoMFA
CoMSIA
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