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 [14]
金属研究所 [5]
青海盐湖研究所 [5]
近代物理研究所 [3]
兰州化学物理研究所 [2]
宁波材料技术与工程研... [1]
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采集方式
OAI收割 [33]
内容类型
期刊论文 [33]
发表日期
2024 [3]
2023 [5]
2022 [3]
2021 [4]
2020 [2]
2019 [3]
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学科主题
Chemistry [1]
Materials ... [1]
Science & ... [1]
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浏览/检索结果:
共33条,第1-10条
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Impact of Halogen Bonds on Protein-Peptide Binding and Protein Structural Stability Revealed by Computational Approaches
期刊论文
OAI收割
JOURNAL OF MEDICINAL CHEMISTRY, 2024, 页码: 11
作者:
Li, Jintian
;
Zhou, Liping
;
Han, Zijian
;
Wu, Leyun
;
Zhang, Jianfang
  |  
收藏
  |  
浏览/下载:0/0
  |  
提交时间:2024/05/07
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:24/0
  |  
提交时间:2024/03/13
Dimeric cation-cation aggregates stabilized by 2Ch-2N chalcogen bonds: Crystallographic and theoretical evidences
期刊论文
OAI收割
CHEMICAL PHYSICS, 2024, 卷号: 576, 页码: 10
作者:
Liu, Na
;
Han, Zijian
;
Lu, Yunxiang
;
Xu, Zhijian
;
Zhu, Weiliang
  |  
收藏
  |  
浏览/下载:7/0
  |  
提交时间:2023/12/11
2Ch-2N chalcogen bonds
Homocations
Solvents
Evidences
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
Design, synthesis and biological evaluation of salicylanilides as novel allosteric inhibitors of human pancreatic lipase
期刊论文
OAI收割
BIOORGANIC & MEDICINAL CHEMISTRY, 2023, 卷号: 91, 页码: 11
作者:
Zhao, Yitian
;
Zhang, Min
;
Hou, Xudong
;
Han, Jiaxin
;
Qin, Xiaoya
  |  
收藏
  |  
浏览/下载:12/0
  |  
提交时间:2023/10/17
Salicylanilide
hPL inhibitor
Structure -activity relationship
Anti -obesity
Ligand-induced activation and G protein coupling of prostaglandin F-2 alpha receptor
期刊论文
OAI收割
NATURE COMMUNICATIONS, 2023, 卷号: 14, 期号: 1, 页码: 11
作者:
Wu, Canrong
;
Xu, Youwei
;
He, Qian
;
Li, Dianrong
;
Duan, Jia
  |  
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2023/10/17
Preventive and therapeutic benefits of nelfinavir in rhesus macaques and human beings infected with SARS-CoV-2
期刊论文
OAI收割
Signal Transduction and Targeted Therapy, 2023, 卷号: 8, 期号: 5, 页码: 2384-2391
作者:
Xu, Zhijian
;
Shi, Danrong
;
Han, Jianbao
;
Ling, Yun
;
Jiang, Xiangrui
  |  
收藏
  |  
浏览/下载:17/0
  |  
提交时间:2024/03/27
Development of a Novel 18F-Labeled Probe for PET Imaging of Estrogen Receptor beta
期刊论文
OAI收割
JOURNAL OF MEDICINAL CHEMISTRY, 2023, 页码: 11
作者:
Zhou, Yujing
;
Lei, Peng
;
Han, Jiaxin
;
Wang, Zhiming
;
Ji, Aiyan
  |  
收藏
  |  
浏览/下载:25/0
  |  
提交时间:2023/04/10
D3AI-Spike: A deep learning platform for predicting binding affinity between SARS-CoV-2 spike receptor binding domain with multiple amino acid mutations and human angiotensin-converting enzyme 2
期刊论文
OAI收割
COMPUTERS IN BIOLOGY AND MEDICINE, 2022, 卷号: 151, 页码: 8
作者:
Han, Jiaxin
;
Liu, Tingting
;
Zhang, Xinben
;
Yang, Yanqing
;
Shi, Yulong
  |  
收藏
  |  
浏览/下载:15/0
  |  
提交时间:2023/04/10
D3AI-Spike
ELISA
Protein -protein interaction
COVID-19
Deep learning
Conserved protein targets for developing pan-coronavirus drugs based on sequence and 3D structure similarity analyses
期刊论文
OAI收割
COMPUTERS IN BIOLOGY AND MEDICINE, 2022, 卷号: 145, 页码: 105455
作者:
Ma, Minfei
;
Yang, Yanqing
;
Wu, Leyun
;
Zhou, Liping
;
Shi, Yulong
  |  
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2024/03/21
Pharmaceutical informatics
Drug design
Target discovery
Medicinal chemistry
Broad-spectrum drugs