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Chinese Academy of Sciences Institutional Repositories Grid
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上海药物研究所 [29]
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期刊论文 [43]
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Discovery of Potent and Selective CB2 Agonists Utilizing a Function-Based Computational Screening Protocol
期刊论文
OAI收割
ACS CHEMICAL NEUROSCIENCE, 2023, 卷号: 14, 期号: 21, 页码: 3941-3958
作者:
Ge, Haixia
;
Ji, Beihong
;
Fang, Jiahui
;
Wang, Jiayang
;
Li, Jing
  |  
收藏
  |  
浏览/下载:8/0
  |  
提交时间:2023/12/11
function-based ligand design
receptor-ligandbinding profile
CB1/CB2
structure-activityrelationship
Design, synthesis, and LFA-1/ICAM-1 antagonist activity evaluation of Lifitegrast analogues
期刊论文
OAI收割
MEDICINAL CHEMISTRY RESEARCH, 2022, 页码: 25
作者:
Du, Guoxin
;
Du, Weiwei
;
An, Yuanlong
;
Wang, Minnan
;
Hao, Feifei
  |  
收藏
  |  
浏览/下载:28/0
  |  
提交时间:2022/06/15
Lifitegrast
Analogues
LFA-1/ICAM-1 antagoinst
Dry eye
Corneal epithelial in jury
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
  |  
浏览/下载:40/0
  |  
提交时间:2022/06/15
Protein motion
Motion pattern
D3PM database
Amino acids preference
Affinity Mass Spectrometry-Based Fragment Screening Identified a New Negative Allosteric Modulator of the Adenosine A(2A) Receptor Targeting the Sodium Ion Pocket
期刊论文
OAI收割
ACS CHEMICAL BIOLOGY, 2021, 卷号: 16, 期号: 6, 页码: 991-1002
作者:
Lu, Yan
;
Liu, Hongyue
;
Yang, Dehua
;
Zhong, Li
;
Xin, Ye
  |  
收藏
  |  
浏览/下载:52/0
  |  
提交时间:2021/08/17
Discovery of a new inhibitor targeting PD-L1 for cancer immunotherapy
期刊论文
OAI收割
NEOPLASIA, 2021, 卷号: 23, 期号: 3, 页码: 281-293
作者:
Wang, Fengling
;
Ye, Wenling
;
Wang, Shuang
;
He, Yongxing
;
Zhong, Haiyang
  |  
收藏
  |  
浏览/下载:30/0
  |  
提交时间:2021/12/10
PD-1
PD-L1
Inhibitor
APBC
Cancer immunotherapy
G protein-coupled receptors: structure- and function-based drug discovery
期刊论文
OAI收割
SIGNAL TRANSDUCTION AND TARGETED THERAPY, 2021, 卷号: 6, 期号: 1, 页码: 27
作者:
Yang, Dehua
;
Zhou, Qingtong
;
Labroska, Viktorija
;
Qin, Shanshan
;
Darbalaei, Sanaz
  |  
收藏
  |  
浏览/下载:29/0
  |  
提交时间:2021/05/24
Theoretical insights into selective separation of trivalent actinide and lanthanide by ester and amide ligands based on phenanthroline skeleton
期刊论文
OAI收割
DALTON TRANSACTIONS, 2020, 卷号: 49, 期号: 13, 页码: 4093-4099
作者:
Wang, Cui
;
Wu, Qun-Yan
;
Wang, Cong-Zhi
;
Lan, Jian-Hui
;
Nie, Chang-Ming
  |  
收藏
  |  
浏览/下载:24/0
  |  
提交时间:2020/12/16
SEGMENTED CONTRACTION SCHEME
DENSITY-FUNCTIONAL THEORY
MINOR ACTINIDES
AM(III)/EU(III) SELECTIVITY
EXTRACTION SEPARATION
WAVE-FUNCTION
F-ELEMENTS
COMPLEXATION
ENERGY
DESIGN
Improving the Virtual Screening Ability of Target-Specific Scoring Functions Using Deep Learning Methods
期刊论文
OAI收割
FRONTIERS IN PHARMACOLOGY, 2019, 卷号: 10, 页码: 11
作者:
Wang, Dingyan
;
Cui, Chen
;
Ding, Xiaoyu
;
Xiong, Zhaoping
;
Zheng, Mingyue
  |  
收藏
  |  
浏览/下载:12/0
  |  
提交时间:2020/07/01
virtual screening
target-specific scoring function
deep learning
drug discovery
DUD-E
D3Pockets: A Method and Web Server for Systematic Analysis of Protein Pocket Dynamics
期刊论文
OAI收割
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2019, 卷号: 59, 期号: 8, 页码: 3353-3358
作者:
Chen, Zhaoqiang
;
Zhang, Xinben
;
Peng, Cheng
;
Wang, Jinan
;
Xu, Zhijian
  |  
收藏
  |  
浏览/下载:16/0
  |  
提交时间:2020/07/01
Chemical Diversity in the G Protein-Coupled Receptor Superfamily
期刊论文
OAI收割
TRENDS IN PHARMACOLOGICAL SCIENCES, 2018, 卷号: 39, 期号: 5, 页码: 494-512
作者:
Vass, Marton
;
Kooistra, Albert J.
;
Yang, Dehua
;
Stevens, Raymond C.
;
Wang, Ming-Wei
  |  
收藏
  |  
浏览/下载:39/0
  |  
提交时间:2019/01/08