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 [15]
水生生物研究所 [1]
武汉物理与数学研究所 [1]
中国科学院大学 [1]
武汉植物园 [1]
上海营养与健康研究所 [1]
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OAI收割 [19]
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期刊论文 [19]
会议论文 [1]
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2025 [1]
2024 [2]
2023 [2]
2022 [3]
2021 [2]
2020 [2]
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Science & ... [1]
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Thiazole-fused thiazoliniums with ketone warheads as covalent inhibitors targeting Cys44 of SARS-CoV-2 3CL
pro
期刊论文
OAI收割
CHEMICO-BIOLOGICAL INTERACTIONS, 2025, 卷号: 418, 页码: 12
作者:
Cao, Qizhen
;
Zhang, Zhaoqin
;
Zhu, Guanghao
;
Dong, Sanfeng
;
Sun, Xue
  |  
收藏
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D3EGFR: a webserver for deep learning-guided drug sensitivity prediction and drug response information retrieval for EGFR mutation-driven lung cancer
期刊论文
OAI收割
BRIEFINGS IN BIOINFORMATICS, 2024, 卷号: 25, 期号: 3, 页码: 10
作者:
Shi, Yulong
;
Li, Chongwu
;
Zhang, Xinben
;
Peng, Cheng
;
Sun, Peng
  |  
收藏
  |  
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
  |  
High-throughput design of energetic molecules
期刊论文
OAI收割
JOURNAL OF MATERIALS CHEMISTRY A, 2023, 卷号: 11, 期号: 45, 页码: 25031-25044
作者:
Liu, Jian
;
Zhao, Shicao
;
Duan, Bowen
;
He, Xudong
;
Yang, Chunming
  |  
收藏
  |  
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
  |  
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
  |  
D3AI-CoV: a deep learning platform for predicting drug targets and for virtual screening against COVID-19
期刊论文
OAI收割
BRIEFINGS IN BIOINFORMATICS, 2022, 页码: 16
作者:
Yang, Yanqing
;
Zhou, Deshan
;
Zhang, Xinben
;
Shi, Yulong
;
Han, Jiaxin
  |  
收藏
  |  
D3PM: a comprehensive database for protein motions ranging from residue to domain
期刊论文
OAI收割
BMC Bioinformatics, 2022, 卷号: 23, 期号: 1
作者:
Peng,Cheng
;
Zhang,Xinben
;
Xu,Zhijian
;
Chen,Zhaoqiang
;
Yang,Yanqing
  |  
收藏
  |  
D3DistalMutation: a Database to Explore the Effect of Distal Mutations on Enzyme Activity
期刊论文
OAI收割
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2021, 卷号: 61, 期号: 5, 页码: 2499-2508
作者:
Wang, Xiaoyu
;
Zhang, Xinben
;
Peng, Cheng
;
Shi, Yulong
;
Li, Huiyu
  |  
收藏
  |  
Ligand-based approach for predicting drug targets and for virtual screening against COVID-19
期刊论文
OAI收割
BRIEFINGS IN BIOINFORMATICS, 2021, 卷号: 22, 期号: 2, 页码: 1053-1064
作者:
Yang, Yanqing
;
Zhu, Zhengdan
;
Wang, Xiaoyu
;
Zhang, Xinben
;
Mu, Kaijie
  |  
收藏
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