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科研机构
上海药物研究所 [81]
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期刊论文 [81]
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2021 [1]
2020 [12]
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Activation pathway of a G protein-coupled receptor uncovers conformational intermediates as targets for allosteric drug design
期刊论文
NATURE COMMUNICATIONS, 2021, 卷号: 12, 期号: 1, 页码: 15
作者:
Lu, Shaoyong
;
He, Xinheng
;
Yang, Zhao
;
Chai, Zongtao
;
Zhou, Shuhua
收藏
  |  
浏览/下载:35/0
  |  
提交时间:2021/11/04
A Peptide Binder of E3 Ligase Adaptor SPOP Disrupts Oncogenic SPOP-Protein Interactions in Kidney Cancer Cells
期刊论文
CHINESE JOURNAL OF CHEMISTRY, 2020, 页码: 274-280
作者:
Wang, Zhen
;
Zhang, Hao
;
Chen, Baoen
;
Ouyang, Sisheng
;
Zheng, Tong
收藏
  |  
浏览/下载:124/0
  |  
提交时间:2021/05/24
SPOP
Protein‐
protein interaction
Clear cell Renal Cell Carcinomas
Crystal structure
Peptide inhibitor
Structure-based design, synthesis and bioactivity evaluation of macrocyclic inhibitors of mutant isocitrate dehydrogenase 2 (IDH2) displaying activity in acute myeloid leukemia cells
期刊论文
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2020, 卷号: 203, 页码: 19
作者:
Che, Jinxin
;
Huang, Feng
;
Zhang, Mengmeng
;
Xu, Gaoya
;
Qu, Bingxue
收藏
  |  
浏览/下载:22/0
  |  
提交时间:2020/12/21
Metabolic pathways
Isocitrate dehydrogenase 2
Conformational restriction
Macrocyclic derivatives
Inhibitors
Structure-based design, synthesis and bioactivity evaluation of macrocyclic inhibitors of mutant isocitrate dehydrogenase 2 (IDH2) displaying activity in acute myeloid leukemia cells
期刊论文
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2020, 卷号: 203, 页码: 19
作者:
Che, Jinxin
;
Huang, Feng
;
Zhang, Mengmeng
;
Xu, Gaoya
;
Qu, Bingxue
收藏
  |  
浏览/下载:23/0
  |  
提交时间:2020/12/21
Metabolic pathways
Isocitrate dehydrogenase 2
Conformational restriction
Macrocyclic derivatives
Inhibitors
Design, synthesis, and biological evaluation of tetrahydroquinolin derivatives as potent inhibitors of CBP bromodomain
期刊论文
BIOORGANIC CHEMISTRY, 2020, 卷号: 101, 页码: 11
作者:
Chen, Yu
;
Bi, Xiaoyang
;
Zhang, Fengcai
;
Sun, Zhongya
;
Xu, Pan
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  |  
浏览/下载:24/0
  |  
提交时间:2020/12/24
In silico screening
Drug design
CBP
Bromodomain
Inhibitor
Acute Myeloblastic Leukemia
Revisiting Aldehyde Oxidase Mediated Metabolism in Drug-like Molecules: An Improved Computational Model
期刊论文
JOURNAL OF MEDICINAL CHEMISTRY, 2020, 卷号: 63, 期号: 12, 页码: 6523-6537
作者:
Zhao, Jihui
;
Cui, Rongrong
;
Wang, Lihao
;
Chen, Yingjia
;
Fu, Zunyun
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  |  
浏览/下载:25/0
  |  
提交时间:2020/12/24
Interaction Nature and Computational Methods for Halogen Bonding: A Perspective
期刊论文
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2020, 卷号: 60, 期号: 6, 页码: 2683-2696
作者:
Zhu, Zhengdan
;
Xu, Zhijian
;
Zhu, Weiliang
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  |  
浏览/下载:25/0
  |  
提交时间:2020/12/24
Accurate prediction of relative binding affinities of a series of HIV-1 protease inhibitors using semi-empirical quantum mechanical charge
期刊论文
JOURNAL OF COMPUTATIONAL CHEMISTRY, 2020, 页码: 8
作者:
Peng, Cheng
;
Wang, Jinan
;
Xu, Zhijian
;
Cai, Tingting
;
Zhu, Weiliang
收藏
  |  
浏览/下载:24/0
  |  
提交时间:2020/07/01
adaptive steered molecular dynamics (ASMD)
binding affinity
HIV-1 protease
semi-empirical quantum mechanics
TREK Channel Family Activator with a Well-Defined Structure-Activation Relationship for Pain and Neurogenic Inflammation
期刊论文
JOURNAL OF MEDICINAL CHEMISTRY, 2020, 卷号: 63, 期号: 7, 页码: 3665-3677
作者:
Qiu, Yunguang
;
Huang, Lu
;
Fu, Jie
;
Han, Chenxia
;
Fang, Jing
收藏
  |  
浏览/下载:45/0
  |  
提交时间:2020/07/01
Computational discovery and biological evaluation of novel inhibitors targeting histone-lysine N-methyltransferase SET7
期刊论文
BIOORGANIC & MEDICINAL CHEMISTRY, 2020, 卷号: 28, 期号: 7, 页码: 10
作者:
Min, Wenjian
;
Hou, Zeng
;
Zhang, Fang
;
Xie, Shengnan
;
Yuan, Kai
收藏
  |  
浏览/下载:49/0
  |  
提交时间:2020/07/01
Histone methylation
Lysine methyltransferase
SET7
Small-molecule inhibitor
Virtual screening
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