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Chinese Academy of Sciences Institutional Repositories Grid
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CAS IR Grid
机构
上海药物研究所 [13]
成都生物研究所 [5]
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成都山地灾害与环境研... [1]
宁波材料技术与工程研... [1]
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OAI收割 [21]
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期刊论文 [16]
会议论文 [5]
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2026 [1]
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Multimodal pre-training models of molecular representation for drug discovery
期刊论文
OAI收割
NATIONAL SCIENCE REVIEW, 2026, 卷号: 13, 期号: 1, 页码: 18
作者:
Wang, Xiaoqi
;
Wang, Chuanshi
;
Ji, Boya
;
Wang, Junwen
;
Zheng, Mingyue
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Regulating the N/B ratio to construct B, N co-doped carbon nanotubes on carbon felt for high-performance vanadium redox flow batteries
期刊论文
OAI收割
CHEMICAL ENGINEERING JOURNAL, 2023, 卷号: 473, 页码: 10
作者:
Liu, Lansong
;
Zhang, Xihao
;
Zhang, Denghua
;
Zhang, Kaiyue
;
Hou, Shaoyu
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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
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MultiDTI: drug-target interaction prediction based on multi-modal representation learning to bridge the gap between new chemical entities and known heterogeneous network
期刊论文
OAI收割
BIOINFORMATICS, 2021, 卷号: 37, 期号: 23, 页码: 4485-4492
作者:
Zhou, Deshan
;
Xu, Zhijian
;
Li, WenTao
;
Xie, Xiaolan
;
Peng, Shaoliang
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DeepR2cov: deep representation learning on heterogeneous drug networks to discover anti-inflammatory agents for COVID-19
期刊论文
OAI收割
BRIEFINGS IN BIOINFORMATICS, 2021, 卷号: 22, 期号: 6, 页码: 14
作者:
Wang, Xiaoqi
;
Xin, Bin
;
Tan, Weihong
;
Xu, Zhijian
;
Li, Kenli
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IDOS: Improved D3DOCK on Spark
期刊论文
OAI收割
BIOINFORMATICS RESEARCH AND APPLICATIONS, ISBRA 2021, 2021, 卷号: 13064, 页码: 436-447
作者:
Cui, Yonghui
;
Xu, Zhijian
;
Peng, Shaoliang
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High-scalable Collaborated Parallel Framework for Large-scale Molecular Dynamic Simulation on Tianhe-2 Supercomputer
期刊论文
OAI收割
IEEE/ACM Transactions on Computational Biology and Bioinformatics, 2018
作者:
Peng, Shaoliang
;
Zhang, Xiaoyu
;
Lu, Yutong
;
Liao, Xiangke
;
Lu, Kai
  |  
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Parallelization of Molecular Docking: A Review
期刊论文
OAI收割
CURRENT TOPICS IN MEDICINAL CHEMISTRY, 2018, 卷号: 18, 期号: 12, 页码: 1015-1028
作者:
Dong, Dong
;
Xu, Zhijian
;
Wu, Zhong
;
Peng, Shaoliang
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MD3DOCKxb: An ultra-scalable CPU-MIC coordinated virtual screening framework
会议论文
OAI收割
作者:
Peng, Shaoliang
;
Zhang, Xiaoyu
;
Yang, Shunyun
;
Su, Wenhe
;
Zhang, Zhiqiang
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MAMBER: A CPU/MIC collaborated parallel framework for AMBER on Tianhe-2 supercomputer
会议论文
OAI收割
作者:
Peng, Shaoliang
;
Zhang, Xiaoyu
;
Lu, Yutong
;
Liao, Xiangke
;
Lu, Kai
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