中国科学院机构知识库网格
Chinese Academy of Sciences Institutional Repositories Grid
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CAS IR Grid
机构
上海药物研究所 [10]
亚热带农业生态研究所 [9]
过程工程研究所 [6]
中国科学院大学 [6]
工程热物理研究所 [5]
武汉物理与数学研究所 [4]
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期刊论文 [68]
会议论文 [7]
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2024 [1]
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半导体器件 [4]
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浏览/检索结果:
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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
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
A functional coating with mechanoluminescent properties for sensing cavitation erosion and early warning of protection failure
期刊论文
OAI收割
Composites Part B, 2023, 期号: 266, 页码: 111021
作者:
Wu, Yuli
;
Hou, Guoliang
;
Cui, Haixia
;
Zhang, Yue
;
Chen, Lei
  |  
收藏
  |  
浏览/下载:6/0
  |  
提交时间:2023/11/07
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
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
MUTS-Based Cooperative Target Stalking for A Multi-USV System
期刊论文
OAI收割
IEEE/CAA Journal of Automatica Sinica, 2023, 卷号: 10, 期号: 7, 页码: 1582-1592
作者:
Chengcheng Wang
;
Yulong Wang
;
Qing-Long Han
;
Yunkai Wu
  |  
收藏
  |  
浏览/下载:6/0
  |  
提交时间:2023/06/14
Cooperative target stalking
improved deep reinforcement learning
multi-unmanned surface vehicle (multi-USV) systems
V-type probabilistic data extraction
Economical and Sustainable Synthesis of Small-Pore Chabazite Catalysts for NOx Abatement by Recycling Organic Structure- Directing Agents
期刊论文
OAI收割
ENVIRONMENTAL SCIENCE & TECHNOLOGY, 2023, 页码: 1-11
作者:
Xiong, Wuwan
;
Liu, Linhui
;
Guo, Anqi
;
Chen, Dongdong
;
Shan, Yulong
  |  
收藏
  |  
浏览/下载:8/0
  |  
提交时间:2023/02/06
SSZ-13
waste liquid
TMAdaOH
low cost
NOx reduction
A new biologic paleoaltimetry indicating Late Miocene rapid uplift of northern Tibet Plateau
期刊论文
OAI收割
SCIENCE, 2022, 卷号: 378, 期号: 6624, 页码: 1074-1078
作者:
Miao, Yunfa
;
Fang, Xiaomin
;
Sun, Jimin
;
Xiao, Wenjiao
;
Yang, Yongheng
  |  
收藏
  |  
浏览/下载:15/0
  |  
提交时间:2023/03/31
Exploring the Binding Affinity and Mechanism between ACE2 and the Trimers of Delta and Omicron Spike Proteins by Molecular Dynamics Simulation and Bioassay
期刊论文
OAI收割
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2022, 页码: 11
作者:
Zhou, Liping
;
Liu, Tingting
;
Mo, Mengxia
;
Shi, Yulong
;
Wu, Leyun
  |  
收藏
  |  
浏览/下载:22/0
  |  
提交时间:2022/11/11
Parthenolide reveals an allosteric mode to inhibit the deISGylation activity of SARS-CoV-2 papain-like protease
期刊论文
OAI收割
ACTA BIOCHIMICA ET BIOPHYSICA SINICA, 2022, 卷号: 54, 期号: 8, 页码: 1133-1139
作者:
Zou, Zhihui
;
Shan, Huizhuang
;
Sun, Demeng
;
Xia, Li
;
Shi, Yulong
  |  
收藏
  |  
浏览/下载:33/0
  |  
提交时间:2022/11/11
COVID-19
SARS-CoV-2
PLpro
Parthenolide
deISGylation