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 [36]
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期刊论文 [292]
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D3Rings: A Fast and Accurate Method for Ring System Identification and Deep Generation of Drug-Like Cyclic Compounds
期刊论文
OAI收割
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2024, 卷号: 64, 期号: 3, 页码: 724-736
作者:
Ma, Minfei
;
Zhang, Xinben
;
Zhou, Liping
;
Han, Zijian
;
Shi, Yulong
  |  
收藏
  |  
浏览/下载:19/0
  |  
提交时间:2024/03/13
A new avialan theropod from an emerging Jurassic terrestrial fauna
期刊论文
OAI收割
NATURE, 2023, 页码: 24
作者:
Xu, Liming
;
Wang, Min
;
Chen, Runsheng
;
Dong, Liping
;
Lin, Min
  |  
收藏
  |  
浏览/下载:16/0
  |  
提交时间:2023/10/25
D3CARP: a comprehensive platform with multiple-conformation based docking, ligand similarity search and deep learning approaches for target prediction and virtual screening
期刊论文
OAI收割
COMPUTERS IN BIOLOGY AND MEDICINE, 2023, 卷号: 164, 页码: 8
作者:
Shi, Yulong
;
Zhang, Xinben
;
Yang, Yanqing
;
Cai, Tingting
;
Peng, Cheng
  |  
收藏
  |  
浏览/下载:21/0
  |  
提交时间:2023/10/17
Target prediction
Virtual screening
Molecular docking
Ligand similarity search
Deep learning
Preferred microenvironments of halogen bonds and hydrogen bonds revealed using statistics and QM/MM calculation studies
期刊论文
OAI收割
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2023, 卷号: 25, 期号: 26, 页码: 17692-17699
作者:
Zhou, Liping
;
Li, Jintian
;
Shi, Yulong
;
Wu, Leyun
;
Zhu, Weiliang
  |  
收藏
  |  
浏览/下载:21/0
  |  
提交时间:2023/10/17
Galaxy morphology classification using multiscale convolution capsule network
期刊论文
OAI收割
MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY, 2023, 卷号: 523, 期号: 1, 页码: 488-497
作者:
Li, Guangping
;
Xu, Tingting
;
Li, Liping
;
Gao, Xianjun
;
Liu, Zhijing
  |  
收藏
  |  
浏览/下载:59/0
  |  
提交时间:2023/07/03
methods: data analysis
techniques: image processing
galaxies: general
Bioactive compounds from Huashi Baidu decoction possess both antiviral and anti-inflammatory effects against COVID-19
期刊论文
OAI收割
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 2023, 卷号: 120, 期号: 18, 页码: 11
作者:
Xu, Haiyu
;
Li, Shufen
;
Liu, Jiayuan
;
Cheng, Jinlong
;
Kang, Liping
  |  
收藏
  |  
浏览/下载:19/0
  |  
提交时间:2023/10/17
COVID-19
traditional Chinese medicine
TCMT-NDRD
antivirus
anti-inflammation
Reconciling ecological footprint and ecosystem services in natural capital accounting: Applying a novel framework to the Silk Road Economic Belt in China
期刊论文
OAI收割
JOURNAL OF ENVIRONMENTAL MANAGEMENT, 2023, 卷号: 330, 页码: 15
作者:
Zhang, Ruqian
;
Li, Penghui
;
Xu, Liping
;
Zhong, Shuai
  |  
收藏
  |  
浏览/下载:7/0
  |  
提交时间:2023/10/09
Integrated ecological pressure
Ecosystem service equivalence factor
Physical quantity
Monetary quantity
The SREB in China
Modular Biomimetic Strategy Enabled Discovery of Simplified Pseudo-Natural Macrocyclic P-Glycoprotein Inhibitors Capable of Overcoming Multidrug Resistance
期刊论文
OAI收割
JOURNAL OF MEDICINAL CHEMISTRY, 2023, 卷号: 66, 期号: 4, 页码: 2550-2565
作者:
Liu, Bo
;
Yu, Xueni
;
Liu, Liping
;
Wang, Lei
;
Wang, Jie
  |  
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2024/03/27
Molecular dynamics study on the behavior and binding mechanism of target protein Transgelin-2 with its agonist TSG12 for anti-asthma drug discovery
期刊论文
OAI收割
COMPUTERS IN BIOLOGY AND MEDICINE, 2023, 卷号: 153, 页码: 7
作者:
Wu, Leyun
;
Wang, Guangpu
;
Zhou, Liping
;
Mo, Mengxia
;
Shi, Yulong
  |  
收藏
  |  
浏览/下载:15/0
  |  
提交时间:2023/04/10
Pharmaceutical sciences
Molecular dynamics simulation
Free energy calculation
Asthma
Target protein
Transgelin-2
Agonist
A large-format streak tube for compressed ultrafast photography
期刊论文
OAI收割
REVIEW OF SCIENTIFIC INSTRUMENTS, 2022, 卷号: 93, 期号: 11
作者:
Li, Hang
;
Xue, Yanhua
;
Tian, Jinshou
;
Li, Shaohui
;
Wang, Junfeng
  |  
收藏
  |  
浏览/下载:36/0
  |  
提交时间:2022/12/02