中国科学院机构知识库网格
Chinese Academy of Sciences Institutional Repositories Grid
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上海药物研究所 [45]
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期刊论文 [125]
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ProALIGN: Directly Learning Alignments for Protein Structure Prediction via Exploiting Context-Specific Alignment Motifs
期刊论文
OAI收割
JOURNAL OF COMPUTATIONAL BIOLOGY, 2022, 页码: 14
作者:
Kong, Lupeng
;
Ju, Fusong
;
Zheng, Wei-mou
;
Zhu, Jianwei
;
Sun, Shiwei
  |  
收藏
  |  
浏览/下载:18/0
  |  
提交时间:2022/12/07
deep learning and protein threading
protein alignment
protein structure prediction
ProALIGN: Directly Learning Alignments for Protein Structure Prediction via Exploiting Context-Specific Alignment Motifs
期刊论文
OAI收割
JOURNAL OF COMPUTATIONAL BIOLOGY, 2022
作者:
Kong, Lupeng
;
Ju, Fusong
;
Zheng, Wei-mou
;
Zhu, Jianwei
;
Sun, Shiwei
  |  
收藏
  |  
浏览/下载:14/0
  |  
提交时间:2023/01/16
SERVER
Structures of the human dopamine D3 receptor-G(i) complexes
期刊论文
OAI收割
MOLECULAR CELL, 2021, 卷号: 81, 期号: 6, 页码: 1147-+
作者:
Xu, Peiyu
;
Huang, Sijie
;
Mao, Chunyou
;
Krumm, Brian E.
;
Zhou, X. Edward
  |  
收藏
  |  
浏览/下载:16/0
  |  
提交时间:2021/05/24
Which species does the virus like most: Binding modes study between SARS-CoV-2 S protein and ACE2 receptor
期刊论文
OAI收割
JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2021, 卷号: 105, 页码: 107893
作者:
Guo,Sheng
;
Yang,Jing
;
Lei,Yu
;
Liu,Bin
;
Zhang,Wei
  |  
收藏
  |  
浏览/下载:25/0
  |  
提交时间:2022/04/02
SARS-CoV-2
COVID-19
Homology modeling
Molecular dynamics simulation
Binding free energy
CORONAVIRUS SPIKE PROTEIN
ACTIVATION
GROMACS
ENTRY
Discovery of novel modulators targeting human TRPC5: Docking-based virtual screening, molecular dynamics simulation and binding af fi nity predication
期刊论文
OAI收割
JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2021, 卷号: 102, 页码: 107795
作者:
Liu,Bin
;
Zhang,Wei
;
Guo,Sheng
;
Zuo,Zhili
  |  
收藏
  |  
浏览/下载:29/0
  |  
提交时间:2022/04/02
hTRPC5
Homology modeling
Molecular docking
Molecular dynamics simulation
Virtual screening
INHIBITOR
CHANNELS
GROMACS
POTENT
AMBER
IDENTIFICATION
CONSTRAINTS
INTEGRATION
AMYGDALA
Deep Learning Based Drug Screening for Novel Coronavirus 2019-nCov
期刊论文
OAI收割
INTERDISCIPLINARY SCIENCES-COMPUTATIONAL LIFE SCIENCES, 2020, 页码: 9
作者:
Zhang, Haiping
;
Saravanan, Konda Mani
;
Yang, Yang
;
Hossain, Md Tofazzal
;
Li, Junxin
  |  
收藏
  |  
浏览/下载:31/0
  |  
提交时间:2020/12/10
Coronavirus
Deep learning
Drug screening
Homology modeling
3C-like protease
Synthesis, antifungal activity and potential mechanism of fusidic acid derivatives possessing amino-terminal groups
期刊论文
OAI收割
FUTURE MEDICINAL CHEMISTRY, 2020, 卷号: 12, 期号: 9, 页码: 763-774
作者:
Cao, Yucheng
;
Ni, Jingxuan
;
Ji, Wentao
;
Shang, Kangle
;
Liang, Kaicheng
  |  
收藏
  |  
浏览/下载:34/0
  |  
提交时间:2020/12/24
antifungal activity
fusidic acid
homology modeling
molecular docking
molecular dynamics simulations
Discovery of a potent and selective adenylyl cyclase type 8 agonist by docking-based virtual screening
期刊论文
OAI收割
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, 2020, 卷号: 30, 期号: 2, 页码: 7
作者:
Weng, Zhiying
;
Xu, Guowei
;
Chen, Dingyuan
;
Yang, Yaqing
;
Song, Gao
  |  
收藏
  |  
浏览/下载:29/0
  |  
提交时间:2020/03/18
Adenylyl cyclases
Homology modeling
Consensus scoring
Molecular dynamics simulation
Virtual screening
Biological evaluation
Simulative structure and binding sites of lyral with olfactory receptor 10J5 using computational prediction methods
期刊论文
OAI收割
JOURNAL OF TOXICOLOGY AND ENVIRONMENTAL HEALTH-PART A-CURRENT ISSUES, 2020, 卷号: 83, 期号: 1, 页码: 1-8
作者:
Wang, P (Wang, Pu)[ 1 ]
;
Zhang, R (Zhang, Rui)[ 2,3 ]
;
Yu, SB (Yu, Shunbang)[ 1 ]
;
Lee, C (Lee, Charles)[ 4 ]
;
Wang, H (Wang, He)[ 1 ]
  |  
收藏
  |  
浏览/下载:16/0
  |  
提交时间:2020/03/16
Homology modeling
ligand docking
binding sites
olfactory receptor
lyral
A complex structure of arrestin-2 bound to a G protein-coupled receptor
期刊论文
OAI收割
CELL RESEARCH, 2019, 卷号: 29, 期号: 12, 页码: 971-983
作者:
Yin, Wanchao
;
Li, Zhihai
;
Jin, Mingliang
;
Yin, Yu-Ling
;
de Waal, Parker W.
  |  
收藏
  |  
浏览/下载:57/0
  |  
提交时间:2020/07/01