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
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上海药物研究所 [61]
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期刊论文 [171]
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Discovery of novel covalent stabilizers for p53 Y220C using structure-based drug discovery methods
期刊论文
OAI收割
MOLECULAR DIVERSITY, 2025, 页码: 14
作者:
Wen, Yiming
;
Xu, Peijia
;
Chen, Yijie
;
Meng, Jingyi
;
Zheng, Mingyue
  |  
收藏
  |  
浏览/下载:7/0
  |  
提交时间:2025/04/01
p53 Y220C
Covalent stabilizer
Virtual screening
Molecular dynamics
DNA binding
Structure-activity relationship
Cancer therapy
Germacrane-type sesquiterpenes from Artemisia atrovirens and their anti-inflammatory activity
期刊论文
OAI收割
FITOTERAPIA, 2024, 卷号: 179, 页码: 11
作者:
Tang, Chunping
;
Zheng, Yongzhe
;
Shao, Zhengguang
;
Ke, Chang-Qiang
;
Feng, Zheling
  |  
收藏
  |  
浏览/下载:11/0
  |  
提交时间:2024/11/26
Artemisia atrovirens
Atrovirenolides C -I
Atrovirenoic acid G
Diatrovirenolides A -B
DFT NMR calculation
TDDFT ECD calculation
miCGR: interpretable deep neural network for predicting both site-level and gene-level functional targets of microRNA
期刊论文
OAI收割
BRIEFINGS IN BIOINFORMATICS, 2024, 卷号: 26, 期号: 1, 页码: 13
作者:
Wu, Xiaolong
;
Zhang, Lehan
;
Tong, Xiaochu
;
Wang, Yitian
;
Zhang, Zimei
  |  
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2024/12/25
MicroRNA
target prediction
chaos game representation
deep learning
convolutional neural network
Optical Continuum Reverberation Mapping of a Candidate IMBH in a Nearby Seyfert 1 Galaxy
期刊论文
OAI收割
ASTROPHYSICAL JOURNAL, 2024, 卷号: 974, 期号: 2
作者:
Zuo, Wenwen
;
Guo, Hengxiao
;
Sun, Jingbo
;
Yuan, Qi
;
Lira, Paulina
  |  
收藏
  |  
浏览/下载:8/0
  |  
提交时间:2024/11/04
Concise syntheses of (+)-maximumins B and C and (+)-ottensinin
期刊论文
OAI收割
ORGANIC CHEMISTRY FRONTIERS, 2024, 页码: 7
作者:
Li, Qing-Xin
;
Wang, Lin-Lin
;
Zheng, Yue-Ming
;
Gao, Zhao-Bing
;
Zhao, Jin-Xin
  |  
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2024/09/26
Anti-HBV Activities of Cembranoids from the South China Sea Soft Coral
Sinularia pedunculata
and Their Structure Activity Relationship
期刊论文
OAI收割
CHEMISTRY & BIODIVERSITY, 2024, 页码: 8
作者:
Huang, Chao
;
Jin, Yang
;
Sun, Ruo-Nan
;
Hu, Kong-Ying
;
Yao, Li-Gong
  |  
收藏
  |  
浏览/下载:70/0
  |  
提交时间:2024/08/22
Hepatitis B Virus
cembranoid
anti-HBV activity
structure-activity relationship
ENI/Xp enhancer/promoter
Gram matrix: an efficient representation of molecular conformation and learning objective for molecular pretraining
期刊论文
OAI收割
BRIEFINGS IN BIOINFORMATICS, 2024, 卷号: 25, 期号: 4, 页码: 13
作者:
Xiang, Wenkai
;
Zhong, Feisheng
;
Ni, Lin
;
Zheng, Mingyue
;
Li, Xutong
  |  
收藏
  |  
浏览/下载:16/0
  |  
提交时间:2024/09/26
gram matrix
graph transformer
molecular property prediction
Deep representation learning of chemical-induced transcriptional profile for phenotype-based drug discovery
期刊论文
OAI收割
NATURE COMMUNICATIONS, 2024, 卷号: 15, 期号: 1, 页码: 14
作者:
Tong, Xiaochu
;
Qu, Ning
;
Kong, Xiangtai
;
Ni, Shengkun
;
Zhou, Jingyi
  |  
收藏
  |  
浏览/下载:10/0
  |  
提交时间:2024/08/22
Fine-tuning large language models for chemical text mining
期刊论文
OAI收割
CHEMICAL SCIENCE, 2024, 页码: 12
作者:
Zhang, Wei
;
Wang, Qinggong
;
Kong, Xiangtai
;
Xiong, Jiacheng
;
Ni, Shengkun
  |  
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2024/07/12
KinomeMETA: a web platform for kinome-wide polypharmacology profiling with meta-learning
期刊论文
OAI收割
NUCLEIC ACIDS RESEARCH, 2024, 页码: 9
作者:
Li, Zhaojun
;
Qu, Ning
;
Zhou, Jingyi
;
Sun, Jingjing
;
Ren, Qun
  |  
收藏
  |  
浏览/下载:31/0
  |  
提交时间:2024/06/27