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 [19]
采集方式
OAI收割 [19]
内容类型
期刊论文 [17]
会议论文 [2]
发表日期
2024 [1]
2022 [1]
2021 [5]
2020 [3]
2019 [3]
2018 [1]
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专题:上海药物研究所
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Application of ensemble learning for predicting GABA
A
receptor agonists
期刊论文
OAI收割
COMPUTERS IN BIOLOGY AND MEDICINE, 2024, 卷号: 169, 页码: 13
作者:
Xiao, Fu
;
Ding, Xiaoyu
;
Shi, Yan
;
Wang, Dingyan
;
Wang, Yitian
  |  
收藏
  |  
浏览/下载:12/0
  |  
提交时间:2024/03/25
GABA(A )receptor
Benzodiazepine
Agonist
Machine learning
Classification
A c-MET-Targeted Topical Fluorescent Probe cMBP-ICG Improves Oral Squamous Cell Carcinoma Detection in Humans
期刊论文
OAI收割
ANNALS OF SURGICAL ONCOLOGY, 2022, 页码: 11
作者:
Wang, Jingbo
;
Li, Siyi
;
Wang, Kun
;
Zhu, Ling
;
Yang, Lin
  |  
收藏
  |  
浏览/下载:30/0
  |  
提交时间:2022/11/11
Active Learning for Drug Design: A Case Study on the Plasma Exposure of Orally Administered Drugs
期刊论文
OAI收割
JOURNAL OF MEDICINAL CHEMISTRY, 2021, 卷号: 64, 期号: 22, 页码: 16838-16853
作者:
Ding, Xiaoyu
;
Cui, Rongrong
;
Yu, Jie
;
Liu, Tiantian
;
Zhu, Tingfei
  |  
收藏
  |  
浏览/下载:30/0
  |  
提交时间:2022/06/15
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
  |  
浏览/下载:30/0
  |  
提交时间:2021/08/17
Expression, purification and characterization of the second DUSP domain of deubiquitinase USP20/VDU2
期刊论文
OAI收割
PROTEIN EXPRESSION AND PURIFICATION, 2021, 卷号: 181, 页码: 6
作者:
Hu, Shuwei
;
Chen, Xiaoyu
;
Zhu, Mengying
;
Hu, Huifang
;
Zhou, Chen
  |  
收藏
  |  
浏览/下载:24/0
  |  
提交时间:2021/05/24
Deubiquitinase
USP20
DUSP domain
NMR
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
  |  
浏览/下载:32/0
  |  
提交时间:2021/11/24
D3Similarity
COVID-19
target prediction
database
virtual screening
Stabilizing photo-sensitive colchicine through rebalancing electron distribution of the reactive tropolone ring
期刊论文
OAI收割
CRYSTENGCOMM, 2021, 卷号: 23, 期号: 1, 页码: 30-34
作者:
Ma, Xiaoyu
;
Zhu, Bingqing
;
Yang, Zeen
;
Jiang, Yuhang
;
Mei, Xuefeng
  |  
收藏
  |  
浏览/下载:11/0
  |  
提交时间:2021/05/24
Computational Insights into the Conformational Accessibility and Binding Strength of SARS-CoV-2 Spike Protein to Human Angiotensin-Converting Enzyme 2
期刊论文
OAI收割
JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2020, 卷号: 11, 期号: 24, 页码: 10482-10488
作者:
Peng, Cheng
;
Zhu, Zhengdan
;
Shi, Yulong
;
Wang, Xiaoyu
;
Mu, Kaijie
  |  
收藏
  |  
浏览/下载:27/0
  |  
提交时间:2021/05/24
D3Targets-2019-nCoV: a webserver for predicting drug targets and for multi-target and multi-site based virtual screening against COVID-19
期刊论文
OAI收割
ACTA PHARMACEUTICA SINICA B, 2020, 卷号: 10, 期号: 7, 页码: 1239-1248
作者:
Shi, Yulong
;
Zhang, Xinben
;
Mu, Kaijie
;
Peng, Cheng
;
Zhu, Zhengdan
  |  
收藏
  |  
浏览/下载:31/0
  |  
提交时间:2020/12/24
COVID-19
SARS-CoV-2
Target prediction
Multi-conformation
Multi-site
Docking
D3Targets-2019-nCoV
Drug-Drug Cocrystals Provide Significant Improvements of Drug Properties in Treatment with Progesterone
期刊论文
OAI收割
CRYSTAL GROWTH & DESIGN, 2020, 卷号: 20, 期号: 5, 页码: 3053-3063
作者:
Guo, Chunyang
;
Zhang, Qi
;
Zhu, Bingqing
;
Zhang, Zaiyong
;
Ma, Xiaoyu
  |  
收藏
  |  
浏览/下载:27/0
  |  
提交时间:2020/07/01